2-amino-5-(3-methylphenyl)pentanoic acid

C12H17NO2 — CID 69496067

IUPAC2-amino-5-(3-methylphenyl)pentanoic acid
SMILESCc1cccc(CCCC(N)C(=O)O)c1
InChIInChI=1S/C12H17NO2/c1-9-4-2-5-10(8-9)6-3-7-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyGWKPQPNDWDPPQD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-5-(3-methylphenyl)pentanoic acid

2-amino-5-(3-methylphenyl)pentanoic acid (PubChem CID 69496067) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-5-(3-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(3-methylphenyl)pentanoic acid
PubChem CID69496067
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-5-(3-methylphenyl)pentanoic acid
SMILESCc1cccc(CCCC(N)C(=O)O)c1
InChIInChI=1S/C12H17NO2/c1-9-4-2-5-10(8-9)6-3-7-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyGWKPQPNDWDPPQD-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(3-bromophenyl)pentanoic acid
CID 83664408
5-(3-methylphenyl)pentan-2-amine
CID 64502928
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
2-amino-7-phenylheptanoic acid
CID 85132413
(2S)-2-amino-5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 167866436
2-fluoro-4-(3-methylphenyl)butanoic acid
CID 84720725
(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
6-(3-methylphenyl)hexan-3-ol
CID 64513249

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methylphenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(3-methylphenyl)pentanoic acid (CID 69496067) is 2-amino-5-(3-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(3-methylphenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(3-methylphenyl)pentanoic acid is Cc1cccc(CCCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-5-(3-methylphenyl)pentanoic acid?
The InChIKey is GWKPQPNDWDPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-2-5-10(8-9)6-3-7-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-5-(3-methylphenyl)pentanoic acid?
2-amino-5-(3-methylphenyl)pentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methylphenyl)pentanoic acid is sourced from PubChem (CID 69496067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).