4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid

C14H21N3O3 — CID 82015095

IUPAC4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCc1cccc(CNC(=O)NCC(C)CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-10(6-7-13(18)19)8-15-14(20)16-9-12-5-3-4-11(2)17-12/h3-5,10H,6-9H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyZGIRQBLJOPZPKA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.69
Rot. Bonds7

About 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid

4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid (PubChem CID 82015095) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
PubChem CID82015095
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCc1cccc(CNC(=O)NCC(C)CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-10(6-7-13(18)19)8-15-14(20)16-9-12-5-3-4-11(2)17-12/h3-5,10H,6-9H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyZGIRQBLJOPZPKA-UHFFFAOYSA-N
XLogP1.69
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]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-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62308244
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 82015110
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid (CID 82015095) is 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid is Cc1cccc(CNC(=O)NCC(C)CCC(=O)O)n1.
What is the InChIKey of 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is ZGIRQBLJOPZPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(6-7-13(18)19)8-15-14(20)16-9-12-5-3-4-11(2)17-12/h3-5,10H,6-9H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid?
4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 82015095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).