3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid

C14H18N2O3 — CID 91593351

IUPAC3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)12(14(18)19)10-5-4-8-15-9-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19)
InChIKeyWKZPLNTZSKSJMX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds4

About 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid

3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid (PubChem CID 91593351) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
PubChem CID91593351
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)12(14(18)19)10-5-4-8-15-9-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19)
InChIKeyWKZPLNTZSKSJMX-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 43817592
(1R,2R)-2-(cyclohexylamino)-1-phenyl-2-pyridin-3-ylethanol
CID 15247406
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
CID 9154333
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid (CID 91593351) is 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid is O=C(O)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
The InChIKey is WKZPLNTZSKSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)12(14(18)19)10-5-4-8-15-9-10/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid?
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 91593351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).