4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid

C12H18N2O2 — CID 83691362

IUPAC4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)NCc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(6-12(15)16)14-8-10-4-3-5-13-7-10/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyXPFCSRDDZJMFCJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.67
Rot. Bonds6

About 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid

4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid (PubChem CID 83691362) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
PubChem CID83691362
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)NCc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(6-12(15)16)14-8-10-4-3-5-13-7-10/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyXPFCSRDDZJMFCJ-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(pyridin-3-ylmethylamino)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

methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
1-(2-anilino-3-methylbutyl)-3-(pyridin-3-ylmethyl)urea
CID 86998985
2-methyl-N-[(1S)-2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 821600
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(3R)-4-(4-chloroanilino)-4-oxo-3-(pyridin-3-ylmethylamino)butanoic acid
CID 945429
N-[(1S)-2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 780039
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid?
The IUPAC name of 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid (CID 83691362) is 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid?
The canonical SMILES for 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid is CC(C)C(CC(=O)O)NCc1cccnc1.
What is the InChIKey of 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid?
The InChIKey is XPFCSRDDZJMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11(6-12(15)16)14-8-10-4-3-5-13-7-10/h3-5,7,9,11,14H,6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid?
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid is sourced from PubChem (CID 83691362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).