4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid

C16H25NO2 — CID 122044135

IUPAC4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
SMILESCC(C)CC(NCC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-12(2)9-15(16(18)19)17-11-13(3)10-14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyMFTMJHDRZBNCOA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds8

About 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid

4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid (PubChem CID 122044135) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
PubChem CID122044135
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
SMILESCC(C)CC(NCC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-12(2)9-15(16(18)19)17-11-13(3)10-14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyMFTMJHDRZBNCOA-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
(2S)-2-[[(2R,3S)-3-amino-4-phenyl-2-sulfanylbutyl]amino]-4-methylpentanoic acid
CID 14186611
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517
(2R)-2-[[2-hydroxy-3-(4-hydroxyphenyl)propyl]amino]-4-methylpentanoic acid
CID 57107214
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252
4-methyl-2-(2-methylbutylamino)pentanoic acid
CID 23297604
(2S)-2-[[(2S)-1,1-dihydroxy-3-phenylpropan-2-yl]amino]-4-methylpentanoic acid
CID 142163724
(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
CID 72736743
(2R)-4-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]pentanoic acid
CID 87903352
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid (CID 122044135) is 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid is CC(C)CC(NCC(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid?
The InChIKey is MFTMJHDRZBNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)9-15(16(18)19)17-11-13(3)10-14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid?
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid is sourced from PubChem (CID 122044135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).