3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid

C15H23NO2 — CID 53417419

IUPAC3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(CC(C)C(N)CC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)13-6-4-12(5-7-13)8-11(3)14(16)9-15(17)18/h4-7,10-11,14H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyMMGDWUDUVAVLSO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid

3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid (PubChem CID 53417419) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
PubChem CID53417419
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(CC(C)C(N)CC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)13-6-4-12(5-7-13)8-11(3)14(16)9-15(17)18/h4-7,10-11,14H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyMMGDWUDUVAVLSO-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(2R)-2-amino-N-[1-(4-propan-2-ylphenyl)propan-2-yl]propanamide;hydrochloride
CID 120873867
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
3-amino-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 117034739
3-(3-methylbutylamino)-4-(4-propan-2-ylphenyl)butanoic acid
CID 82350519
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
5-amino-4-oxo-2-[(4-propan-2-ylphenyl)methyl]pentanoic acid;hydrochloride
CID 142758048

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid?
The IUPAC name of 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid (CID 53417419) is 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid.
What is the SMILES notation for 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid?
The canonical SMILES for 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid is CC(C)c1ccc(CC(C)C(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid?
The InChIKey is MMGDWUDUVAVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)13-6-4-12(5-7-13)8-11(3)14(16)9-15(17)18/h4-7,10-11,14H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid?
3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid is sourced from PubChem (CID 53417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).