4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid

C13H18N2O4 — CID 119137026

IUPAC4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCCCC(=O)O)cn1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-11-6-5-10(8-15-11)13(18)14-7-3-4-12(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLYEBQTDHNHNELK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds7

About 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid

4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid (PubChem CID 119137026) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
PubChem CID119137026
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCCCC(=O)O)cn1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-11-6-5-10(8-15-11)13(18)14-7-3-4-12(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLYEBQTDHNHNELK-UHFFFAOYSA-N
XLogP1.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 39711465
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013

Frequently Asked Questions

What is the IUPAC name of 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid (CID 119137026) is 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid is CC(C)Oc1ccc(C(=O)NCCCC(=O)O)cn1.
What is the InChIKey of 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is LYEBQTDHNHNELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)19-11-6-5-10(8-15-11)13(18)14-7-3-4-12(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid?
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119137026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).