(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid

C19H23N3O6 — CID 68566709

IUPAC(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid
SMILESO=C1CCCC(N(C(=O)O)N2CCC(NC(=O)OCc3ccccc3)C2=O)C1
InChIInChI=1S/C19H23N3O6/c23-15-8-4-7-14(11-15)22(19(26)27)21-10-9-16(17(21)24)20-18(25)28-12-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,20,25)(H,26,27)
InChIKeyURAYFNMAQKYENL-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.92
Rot. Bonds5

About (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid

(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid (PubChem CID 68566709) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid.

Molecular Properties

Compound Name(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid
PubChem CID68566709
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid
SMILESO=C1CCCC(N(C(=O)O)N2CCC(NC(=O)OCc3ccccc3)C2=O)C1
InChIInChI=1S/C19H23N3O6/c23-15-8-4-7-14(11-15)22(19(26)27)21-10-9-16(17(21)24)20-18(25)28-12-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,20,25)(H,26,27)
InChIKeyURAYFNMAQKYENL-UHFFFAOYSA-N
XLogP1.92
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid with MolForge

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Related Compounds

benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl)carbamate
CID 77475000
(3S,6S)-5-oxo-6-(phenylmethoxycarbonylamino)-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylic acid
CID 58573005
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid?
The IUPAC name of (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid (CID 68566709) is (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid.
What is the SMILES notation for (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid?
The canonical SMILES for (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid is O=C1CCCC(N(C(=O)O)N2CCC(NC(=O)OCc3ccccc3)C2=O)C1.
What is the InChIKey of (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid?
The InChIKey is URAYFNMAQKYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c23-15-8-4-7-14(11-15)22(19(26)27)21-10-9-16(17(21)24)20-18(25)28-12-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,20,25)(H,26,27).
What are the key properties of (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid?
(3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid has a molecular weight of 389.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexyl)-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]carbamic acid is sourced from PubChem (CID 68566709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).