(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid

C11H13ClN2O3 — CID 69195883

IUPAC(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid
SMILESCC(=O)N[C@H](Cc1ccc(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(15)14-10(11(16)17)5-7-2-3-9(13)8(12)4-7/h2-4,10H,5,13H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZGUZBVZVUCUPEI-SNVBAGLBSA-N
MW256.69 g/mol
LogP1.05
Rot. Bonds4

About (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid

(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid (PubChem CID 69195883) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid
PubChem CID69195883
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid
SMILESCC(=O)N[C@H](Cc1ccc(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(15)14-10(11(16)17)5-7-2-3-9(13)8(12)4-7/h2-4,10H,5,13H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZGUZBVZVUCUPEI-SNVBAGLBSA-N
XLogP1.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 96845765
2-acetamido-3-(4-amino-3-chlorophenyl)sulfanylpropanoic acid
CID 79149694
(2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-2-carboxyethyl]-2-chlorophenoxy]-4-hydroxyphenyl]propanoic acid
CID 11123649
2-acetamido-3-(4-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 158648448
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
(2S)-2-acetamido-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 57012608
benzyl 3-(4-amino-3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 141301976
(2S)-2-acetamido-3-(3-acetylphenyl)propanoic acid
CID 167735603
(2S)-2-acetamido-3-[3-[4-[(2S)-2-acetamido-2-carboxyethyl]-2,6-dichlorophenoxy]-5-chloro-4-hydroxyphenyl]propanoic acid
CID 10578530
2-acetamido-3-(4-boronophenyl)propanoic acid
CID 72627400
2-acetamido-3-(4-amino-2-chlorophenyl)sulfanylpropanoic acid
CID 64583287
(2R)-2-acetamido-3-(4-fluoro-3-methoxyphenyl)propanoic acid
CID 54204153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid (CID 69195883) is (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid is CC(=O)N[C@H](Cc1ccc(N)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid?
The InChIKey is ZGUZBVZVUCUPEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-6(15)14-10(11(16)17)5-7-2-3-9(13)8(12)4-7/h2-4,10H,5,13H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid?
(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid is sourced from PubChem (CID 69195883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).