cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

C15H23NO3 — CID 52577395

IUPACcyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OC1CCCCC1)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H23NO3/c17-14-8-12(10-16(14)9-11-6-7-11)15(18)19-13-4-2-1-3-5-13/h11-13H,1-10H2/t12-/m0/s1
InChIKeyBQDLSNYZGLYMTO-LBPRGKRZSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds4

About cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 52577395) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID52577395
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namecyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OC1CCCCC1)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H23NO3/c17-14-8-12(10-16(14)9-11-6-7-11)15(18)19-13-4-2-1-3-5-13/h11-13H,1-10H2/t12-/m0/s1
InChIKeyBQDLSNYZGLYMTO-LBPRGKRZSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
cyclooctyl cyclooctanecarboxylate
CID 57160377
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 52577395) is cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(OC1CCCCC1)[C@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BQDLSNYZGLYMTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14-8-12(10-16(14)9-11-6-7-11)15(18)19-13-4-2-1-3-5-13/h11-13H,1-10H2/t12-/m0/s1.
What are the key properties of cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 52577395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).