[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate

C16H22N2O3 — CID 37289545

IUPAC[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccccn1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H22N2O3/c1-12(21-16(20)14-10-6-7-11-17-14)15(19)18-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyIDXNOYCVAVLFHV-GFCCVEGCSA-N
MW290.36 g/mol
LogP2.47
Rot. Bonds4

About [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 37289545) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID37289545
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccccn1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H22N2O3/c1-12(21-16(20)14-10-6-7-11-17-14)15(19)18-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyIDXNOYCVAVLFHV-GFCCVEGCSA-N
XLogP2.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81312797
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736678
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 37289545) is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate is C[C@@H](OC(=O)c1ccccn1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is IDXNOYCVAVLFHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(21-16(20)14-10-6-7-11-17-14)15(19)18-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 37289545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).