Acetyl-L-aspartic alpha-amide

CAT: 0024-sc-284916Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-284916Size:50 mg

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CAS Number

60803-67-0

Chemical Information

(3S)-3-carbamoyl-3-acetamidopropanoic acid

CAS Number	60803-67-0
PubChem CID	7019845
IUPAC Name	(3S)-3-acetamido-4-amino-4-oxobutanoic acid
Molecular Formula	C6H10N2O4
Molecular Weight	174.15
XLogP	-1.8
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	214

SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C6H10N2O4/c1-3(9)8-4(6(7)12)2-5(10)11/h4H,2H2,1H3,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey

FZLYWFSBVZNFHZ-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 60803-67-0

CID: 7019845

Formula: C6H10N2O4

MW: 174.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.15
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	174.06405680
Monoisotopic Mass	174.06405680
Topological Polar Surface Area	109 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-291808A	Acetyl-L-aspartic acid alpha-methyl ester
sc-291808	Acetyl-L-aspartic acid alpha-methyl ester
sc-284918A	Acetyl-L-glutamic acid alpha-amide
sc-284918	Acetyl-L-glutamic acid alpha-amide
sc-284915	Acetyl-L-aspartic 4-nitroanilide
sc-253089	N-Acetyl-L-aspartic acid
sc-284915A	Acetyl-L-aspartic 4-nitroanilide
sc-291811A	Acetyl-L-isoleucine amide
sc-284920A	Acetyl-L-glutamine amide
sc-291813	Acetyl-L-leucine amide

Catalog	Name
277045-01	Fmoc-L-aspartic acid alpha-amide
260641-01	L-Aspartic acid alpha-amide hydrochloride
264912-01	Boc-L-aspartic acid a-amide
260552-01	N-alpha-Acetyl-L-tryptophan amide
260535-01	N-alpha-Acetyl-L-arginine amide
445512-01	D-Aspartic acid alpha-amide
260568-01	L-Aspartic acid beta-benzyl ester alpha-amide hydrochloride
260555-01	Acetyl-L-tyrosine amide
FA47434-01	Acetyl-L-leucine amide
260626-01	Acetyl-L-methionine amide