2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid

C13H18N2O4 — CID 119223780

IUPAC2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC(C)C)nc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-12(16)9-5-6-11(14-7-9)19-8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLXJLCUYVBUCJNM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds6

About 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid

2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid (PubChem CID 119223780) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
PubChem CID119223780
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC(C)C)nc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-12(16)9-5-6-11(14-7-9)19-8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLXJLCUYVBUCJNM-UHFFFAOYSA-N
XLogP1.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906521
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 120516056
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
2-[(3-bromo-5-propan-2-yloxybenzoyl)amino]butanoic acid
CID 119223842
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid (CID 119223780) is 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1ccc(OC(C)C)nc1)C(=O)O.
What is the InChIKey of 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is LXJLCUYVBUCJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-12(16)9-5-6-11(14-7-9)19-8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119223780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).