(2R)-2-amino-3-(4-aminophenyl)propanoic acid

C9H12N2O2 — CID 1268124

IUPAC(2R)-2-amino-3-(4-aminophenyl)propanoic acid
SMILESNc1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
InChIKeyCMUHFUGDYMFHEI-MRVPVSSYSA-N
MW180.21 g/mol
LogP0.22
Rot. Bonds3

About (2R)-2-amino-3-(4-aminophenyl)propanoic acid

(2R)-2-amino-3-(4-aminophenyl)propanoic acid (PubChem CID 1268124) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-aminophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-aminophenyl)propanoic acid
PubChem CID1268124
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2R)-2-amino-3-(4-aminophenyl)propanoic acid
SMILESNc1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
InChIKeyCMUHFUGDYMFHEI-MRVPVSSYSA-N
XLogP0.22
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

L-Phenylalanine
CID 6140
Melphalan
CID 460612
Kynurenine
CID 161166
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Melphalan Hydrochloride
CID 9927978
Sarcolysin
CID 4053
L-Phenylglycine
CID 99291
Phenylglycine, D-
CID 70134
4-Aminophenylacetic acid
CID 14533
4-Aminophenylalanine
CID 151001
D-Melphalan
CID 20189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-aminophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-aminophenyl)propanoic acid (CID 1268124) is (2R)-2-amino-3-(4-aminophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-aminophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-aminophenyl)propanoic acid is Nc1ccc(C[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-aminophenyl)propanoic acid?
The InChIKey is CMUHFUGDYMFHEI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-aminophenyl)propanoic acid?
(2R)-2-amino-3-(4-aminophenyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.22, 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-(4-aminophenyl)propanoic acid is sourced from PubChem (CID 1268124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).