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

C9H11ClN2O2 — CID 130609315

IUPAC(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
SMILESNc1c(Cl)cccc1[C@H](N)CC(=O)O
InChIInChI=1S/C9H11ClN2O2/c10-6-3-1-2-5(9(6)12)7(11)4-8(13)14/h1-3,7H,4,11-12H2,(H,13,14)/t7-/m1/s1
InChIKeyQMLHOPIAPLTPCD-SSDOTTSWSA-N
MW214.65 g/mol
LogP1.40
Rot. Bonds3

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

(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid (PubChem CID 130609315) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
PubChem CID130609315
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
SMILESNc1c(Cl)cccc1[C@H](N)CC(=O)O
InChIInChI=1S/C9H11ClN2O2/c10-6-3-1-2-5(9(6)12)7(11)4-8(13)14/h1-3,7H,4,11-12H2,(H,13,14)/t7-/m1/s1
InChIKeyQMLHOPIAPLTPCD-SSDOTTSWSA-N
XLogP1.40
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.40
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

(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
3-amino-3-[3-chloro-2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 117403423
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348
(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
3-[3-chloro-2-(fluoromethyl)phenyl]butanoic acid
CID 84694038
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid (CID 130609315) is (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid is Nc1c(Cl)cccc1[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid?
The InChIKey is QMLHOPIAPLTPCD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-6-3-1-2-5(9(6)12)7(11)4-8(13)14/h1-3,7H,4,11-12H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid?
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid is sourced from PubChem (CID 130609315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).