(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride

C11H16ClNO2 — CID 24820268

IUPAC(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
SMILESCc1ccccc1C[C@@H](N)CC(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyWQUTWBVBKSYCPR-HNCPQSOCSA-N
MW229.71 g/mol
LogP1.76
Rot. Bonds4

About (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride

(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride (PubChem CID 24820268) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
PubChem CID24820268
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
SMILESCc1ccccc1C[C@@H](N)CC(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyWQUTWBVBKSYCPR-HNCPQSOCSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
3-amino-4-(4-methoxy-2-methylphenyl)butanoic acid
CID 82351098
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
CID 11471040
2-(2-methylphenyl)acetic acid
CID 67440217
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
3-amino-4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 115181352

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride (CID 24820268) is (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride is Cc1ccccc1C[C@@H](N)CC(=O)O.Cl.
What is the InChIKey of (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride?
The InChIKey is WQUTWBVBKSYCPR-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride?
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride is sourced from PubChem (CID 24820268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).