5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid

C12H16N2O4 — CID 81076986

IUPAC5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-3-5-10(12(16)17)14-11(15)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNFFOYKJQEPWUAV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.69
Rot. Bonds7

About 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid

5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid (PubChem CID 81076986) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
PubChem CID81076986
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-3-5-10(12(16)17)14-11(15)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNFFOYKJQEPWUAV-UHFFFAOYSA-N
XLogP0.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.69
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

5-methoxy-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 81086092
5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
CID 81082348
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
(2S)-6-(phenylmethoxycarbonylamino)-2-(pyridine-3-carbonylamino)hexanoic acid
CID 44586529
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid (CID 81076986) is 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid is COCCCC(NC(=O)c1cccnc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid?
The InChIKey is NFFOYKJQEPWUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-3-5-10(12(16)17)14-11(15)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid?
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 81076986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).