Methyl malonate monoamide

CAT: 0024-sc-235830Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235830Size:10 g

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CAS Number

51513-29-2

Chemical Information

Methyl 2-carbamoylacetate

CAS Number	51513-29-2
PubChem CID	3595299
IUPAC Name	methyl 3-amino-3-oxopropanoate
Molecular Formula	C4H7NO3
Molecular Weight	117.10
XLogP	-1
Topological Polar Surface Area	69.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	110

SMILES

COC(=O)CC(=O)N

InChI

InChI=1S/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)

InChIKey

LSNSJCKGQREPDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51513-29-2

CID: 3595299

Formula: C4H7NO3

MW: 117.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.10
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	117.042593085
Monoisotopic Mass	117.042593085
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-235054	Ethyl malonate monoamide
sc-239321	Benzyl methyl malonate
sc-269574	Methyl hydrogen malonate
sc-207572	Diethyl Methyl-d3-malonate
sc-251135	Tert-Butyl methyl malonate
sc-207739	Hydrogen Methyl Malonate Potassium Salt
sc-477138	Propamidine Monoamide Isethionate
sc-200144	Bopindolol malonate
sc-300476	Dimethyl 2- (5-methyl-2,4-dinitrophenyl) malonate
sc-487234	Dipropyl Malonate

Catalog	Name
MBS6050242-01	Hydrogen Methyl Malonate
RG-A260311-01	Ethyl Methyl Malonate
GTR19208707-01	Methyl potassium malonate
OR74289-01	Benzyl methyl malonate
CS-T-52810	Diethyl Methyl-d3-malonate
OR350045-01	Tert-Butyl methyl malonate
TRC-H714640-10G	Hydrogen Methyl Malonate Potassium Salt
OR110787	Dimethyl methyl (4-nitrophenyl) malonate
B29960-01	Tert-Butyl methyl malonate 95%
TMIH-0191-01	Dimethyl 2- (methyl-d3) malonate