5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid

C13H19N3O3 — CID 114701436

IUPAC5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCc1cnccc1CNC(=O)NCCCCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-10-8-14-7-5-11(10)9-16-13(19)15-6-3-2-4-12(17)18/h5,7-8H,2-4,6,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYHAGKORUKJSRKC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds7

About 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid

5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid (PubChem CID 114701436) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
PubChem CID114701436
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCc1cnccc1CNC(=O)NCCCCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-10-8-14-7-5-11(10)9-16-13(19)15-6-3-2-4-12(17)18/h5,7-8H,2-4,6,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYHAGKORUKJSRKC-UHFFFAOYSA-N
XLogP1.44
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(3-methyl-4-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

4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid
CID 28511327
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433
4-[(3-methyl-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114701344
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75389175
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701387
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701398
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid (CID 114701436) is 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid is Cc1cnccc1CNC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is YHAGKORUKJSRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-8-14-7-5-11(10)9-16-13(19)15-6-3-2-4-12(17)18/h5,7-8H,2-4,6,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid?
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 114701436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).