2-amino-3-(3-chloroanilino)propanoic acid

C9H11ClN2O2 — CID 103234190

IUPAC2-amino-3-(3-chloroanilino)propanoic acid
SMILESNC(CNc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c10-6-2-1-3-7(4-6)12-5-8(11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14)
InChIKeyRMUDBZSACYGIEE-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-3-(3-chloroanilino)propanoic acid

2-amino-3-(3-chloroanilino)propanoic acid (PubChem CID 103234190) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-amino-3-(3-chloroanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chloroanilino)propanoic acid
PubChem CID103234190
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-amino-3-(3-chloroanilino)propanoic acid
SMILESNC(CNc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c10-6-2-1-3-7(4-6)12-5-8(11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14)
InChIKeyRMUDBZSACYGIEE-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(3-chloroanilino)propanoic acid
CID 64581658
2-amino-3-(3-ethynylanilino)propanoic acid
CID 103230642
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
(2S)-6-amino-2-[[2-(3-chloroanilino)acetyl]amino]hexanoic acid
CID 69230374
2-amino-3-(4-propan-2-ylanilino)propanoic acid
CID 103233337
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
1-(3-chloroanilino)propan-2-one
CID 21364413

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloroanilino)propanoic acid?
The IUPAC name of 2-amino-3-(3-chloroanilino)propanoic acid (CID 103234190) is 2-amino-3-(3-chloroanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-chloroanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(3-chloroanilino)propanoic acid is NC(CNc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-chloroanilino)propanoic acid?
The InChIKey is RMUDBZSACYGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-6-2-1-3-7(4-6)12-5-8(11)9(13)14/h1-4,8,12H,5,11H2,(H,13,14).
What are the key properties of 2-amino-3-(3-chloroanilino)propanoic acid?
2-amino-3-(3-chloroanilino)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloroanilino)propanoic acid is sourced from PubChem (CID 103234190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).