[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate

C14H18N2O4 — CID 8786214

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccc[nH]c1=O)C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4/c1-9(12(17)16-10-5-2-3-6-10)20-14(19)11-7-4-8-15-13(11)18/h4,7-10H,2-3,5-6H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyMWJSEAZOXANZRZ-SECBINFHSA-N
MW278.31 g/mol
LogP0.98
Rot. Bonds4

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8786214) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8786214
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccc[nH]c1=O)C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4/c1-9(12(17)16-10-5-2-3-6-10)20-14(19)11-7-4-8-15-13(11)18/h4,7-10H,2-3,5-6H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyMWJSEAZOXANZRZ-SECBINFHSA-N
XLogP0.98
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9382185
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132940

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate (CID 8786214) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate is C[C@@H](OC(=O)c1ccc[nH]c1=O)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is MWJSEAZOXANZRZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(12(17)16-10-5-2-3-6-10)20-14(19)11-7-4-8-15-13(11)18/h4,7-10H,2-3,5-6H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8786214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).