(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid

C9H11ClN2O2 — CID 130690220

IUPAC(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
SMILESNc1ccc(Cl)c(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H11ClN2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyLWOGUJAUXGXLCV-MRVPVSSYSA-N
MW214.65 g/mol
LogP0.88
Rot. Bonds3

About (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid

(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid (PubChem CID 130690220) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
PubChem CID130690220
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
SMILESNc1ccc(Cl)c(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H11ClN2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyLWOGUJAUXGXLCV-MRVPVSSYSA-N
XLogP0.88
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 ≤ 50.88
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-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
(2R)-2-amino-3-(5-borono-2-chlorophenyl)propanoic acid
CID 167431302
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
CID 66510542
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
2-amino-3-(5-amino-2-octoxyphenyl)propanoic acid
CID 21127243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid (CID 130690220) is (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid is Nc1ccc(Cl)c(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid?
The InChIKey is LWOGUJAUXGXLCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid?
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid is sourced from PubChem (CID 130690220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).