(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid

C10H14N2O2 — CID 7018015

IUPAC(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
SMILESNCc1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1
InChIKeyGNVNKFUEUXUWDV-SECBINFHSA-N
MW194.23 g/mol
LogP0.10
Rot. Bonds4

About (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid

(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid (PubChem CID 7018015) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
PubChem CID7018015
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
SMILESNCc1ccc(C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1
InChIKeyGNVNKFUEUXUWDV-SECBINFHSA-N
XLogP0.10
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid (CID 7018015) is (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid is NCc1ccc(C[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid?
The InChIKey is GNVNKFUEUXUWDV-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid?
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.10, 4 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-(aminomethyl)phenyl]propanoic acid is sourced from PubChem (CID 7018015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).