(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid

C10H14N2O2 — CID 55297813

IUPAC(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1N
InChIInChI=1S/C10H14N2O2/c1-6-2-3-7(4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyUMNJZHVJQBSGQV-VIFPVBQESA-N
MW194.23 g/mol
LogP0.53
Rot. Bonds3

About (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid

(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid (PubChem CID 55297813) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
PubChem CID55297813
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1N
InChIInChI=1S/C10H14N2O2/c1-6-2-3-7(4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyUMNJZHVJQBSGQV-VIFPVBQESA-N
XLogP0.53
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.53
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

(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 70213265
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
CID 144937817
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
(2S)-2-amino-3-[3-amino-4-(sulfanylmethyl)phenyl]propanoic acid
CID 88757586
CID 170973569
CID 170973569
2-amino-3-(3,5-diamino-4-hydroxyphenyl)propanoic acid
CID 57367824
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
(2S)-2-amino-3-(3-amino-4-nitrooxyphenyl)propanoic acid
CID 57259353
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid (CID 55297813) is (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid is Cc1ccc(C[C@H](N)C(=O)O)cc1N.
What is the InChIKey of (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid?
The InChIKey is UMNJZHVJQBSGQV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-2-3-7(4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid?
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid is sourced from PubChem (CID 55297813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).