H-beta-Ala-Trp-OH

CAT: 0926-FA107979-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FA107979-01Size:250 mg

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CAS Number

21612-37-3

MDL Number

MFCD00022768

Smiles

C1=CC=C2C (=C1) C (=CN2) C[C@@H] (C (=O) O) NC (=O) CCN

Molecular Formula

C14H17N3O3

Molecular Weight

275.3 g/mol

Controlled

Chemical Information

(2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoic Acid

CAS Number	21612-37-3
PubChem CID	7021350
IUPAC Name	(2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoic acid
Molecular Formula	C14H17N3O3
Molecular Weight	275.30
XLogP	-2.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	362

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCN

InChI

InChI=1S/C14H17N3O3/c15-6-5-13(18)17-12(14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7,15H2,(H,17,18)(H,19,20)/t12-/m0/s1

InChIKey

DZBHIIZGJUBURO-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 21612-37-3

CID: 7021350

Formula: C14H17N3O3

MW: 275.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.30
XLogP3	-2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	275.12699141
Monoisotopic Mass	275.12699141
Topological Polar Surface Area	108 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	362
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