3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid

C12H16N2O4 — CID 105063292

IUPAC3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H16N2O4/c1-3-8(6-11(15)16)14-12(17)9-4-5-13-7-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRCIXJTDJZXNLEW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.07
Rot. Bonds6

About 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid

3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 105063292) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
PubChem CID105063292
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H16N2O4/c1-3-8(6-11(15)16)14-12(17)9-4-5-13-7-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRCIXJTDJZXNLEW-UHFFFAOYSA-N
XLogP1.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid (CID 105063292) is 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)c1ccncc1OC.
What is the InChIKey of 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is RCIXJTDJZXNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-8(6-11(15)16)14-12(17)9-4-5-13-7-10(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid?
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 105063292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).