3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid

C14H20N2O3 — CID 82325454

IUPAC3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-3-4-8-16(10-11(2)14(18)19)13(17)12-6-5-7-15-9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyCVSDUHRZEFGJAT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds7

About 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid

3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 82325454) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID82325454
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-3-4-8-16(10-11(2)14(18)19)13(17)12-6-5-7-15-9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyCVSDUHRZEFGJAT-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 112555141
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 82325454) is 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid is CCCCN(CC(C)C(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is CVSDUHRZEFGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-8-16(10-11(2)14(18)19)13(17)12-6-5-7-15-9-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).