(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide

C10H13BrN2O3 — CID 70535754

IUPAC(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
SMILESBr.NCC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3.BrH/c11-6-8(13)12-9(10(14)15)7-4-2-1-3-5-7;/h1-5,9H,6,11H2,(H,12,13)(H,14,15);1H/t9-;/m0./s1
InChIKeyUHLSGDVTDMHYHT-FVGYRXGTSA-N
MW289.13 g/mol
LogP0.47
Rot. Bonds4

About (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide

(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide (PubChem CID 70535754) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
PubChem CID70535754
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
SMILESBr.NCC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3.BrH/c11-6-8(13)12-9(10(14)15)7-4-2-1-3-5-7;/h1-5,9H,6,11H2,(H,12,13)(H,14,15);1H/t9-;/m0./s1
InChIKeyUHLSGDVTDMHYHT-FVGYRXGTSA-N
XLogP0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
(2R)-2-(but-3-enoylamino)-2-phenylacetic acid
CID 62679483
(3S)-3-amino-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 139799489
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide (CID 70535754) is (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide is Br.NCC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide?
The InChIKey is UHLSGDVTDMHYHT-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12N2O3.BrH/c11-6-8(13)12-9(10(14)15)7-4-2-1-3-5-7;/h1-5,9H,6,11H2,(H,12,13)(H,14,15);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide?
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide has a molecular weight of 289.13 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide is sourced from PubChem (CID 70535754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).