3-amino-4-(2-methylphenyl)pentanoic acid

C12H17NO2 — CID 69407204

IUPAC3-amino-4-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1C(C)C(N)CC(=O)O
InChIInChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)9(2)11(13)7-12(14)15/h3-6,9,11H,7,13H2,1-2H3,(H,14,15)
InChIKeyKIOQBWUXTMKLDH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds4

About 3-amino-4-(2-methylphenyl)pentanoic acid

3-amino-4-(2-methylphenyl)pentanoic acid (PubChem CID 69407204) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-4-(2-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-amino-4-(2-methylphenyl)pentanoic acid
PubChem CID69407204
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-4-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1C(C)C(N)CC(=O)O
InChIInChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)9(2)11(13)7-12(14)15/h3-6,9,11H,7,13H2,1-2H3,(H,14,15)
InChIKeyKIOQBWUXTMKLDH-UHFFFAOYSA-N
XLogP1.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571
CID 167634596
CID 167634596
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
3-(2-methylphenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112511684
N-[3-(2-methylphenyl)butan-2-yl]acetamide
CID 20708272
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
[(2R,3S)-3-(2-methylphenyl)butan-2-yl] 2-aminoacetate
CID 139473149
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylphenyl)pentanoic acid?
The IUPAC name of 3-amino-4-(2-methylphenyl)pentanoic acid (CID 69407204) is 3-amino-4-(2-methylphenyl)pentanoic acid.
What is the SMILES notation for 3-amino-4-(2-methylphenyl)pentanoic acid?
The canonical SMILES for 3-amino-4-(2-methylphenyl)pentanoic acid is Cc1ccccc1C(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(2-methylphenyl)pentanoic acid?
The InChIKey is KIOQBWUXTMKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)9(2)11(13)7-12(14)15/h3-6,9,11H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-(2-methylphenyl)pentanoic acid?
3-amino-4-(2-methylphenyl)pentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylphenyl)pentanoic acid is sourced from PubChem (CID 69407204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).