5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

C13H19N3O4 — CID 81082252

IUPAC5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)Nc1cnccc1C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9-5-6-14-8-11(9)16-13(19)15-10(12(17)18)4-3-7-20-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyKKKSQBYHCLBCAB-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds7

About 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (PubChem CID 81082252) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
PubChem CID81082252
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCOCCCC(NC(=O)Nc1cnccc1C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9-5-6-14-8-11(9)16-13(19)15-10(12(17)18)4-3-7-20-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyKKKSQBYHCLBCAB-UHFFFAOYSA-N
XLogP1.39
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
(2S)-4-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 63327853
(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 63327509
5-methoxy-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 81086092
2-[(2,3-dimethylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81086394
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
2-[(4-bromo-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084242
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (CID 81082252) is 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is COCCCC(NC(=O)Nc1cnccc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The InChIKey is KKKSQBYHCLBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-5-6-14-8-11(9)16-13(19)15-10(12(17)18)4-3-7-20-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 81082252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).