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

C10H14N2O2 — CID 130643080

IUPAC(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
SMILESCc1c(N)cccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySXTSGDAJEJBSNU-SECBINFHSA-N
MW194.23 g/mol
LogP0.53
Rot. Bonds3

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

(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid (PubChem CID 130643080) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
PubChem CID130643080
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
SMILESCc1c(N)cccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySXTSGDAJEJBSNU-SECBINFHSA-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

2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
3-(3-amino-2-methylphenyl)propane-1,2-diol
CID 174811459
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid;ethane
CID 145142447
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid (CID 130643080) is (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid is Cc1c(N)cccc1C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid?
The InChIKey is SXTSGDAJEJBSNU-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14/h2-4,9H,5,11-12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid?
(2R)-2-amino-3-(3-amino-2-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 (2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid is sourced from PubChem (CID 130643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).