cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

C16H25NO3 — CID 95352331

IUPACcyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC1CCCCC1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H25NO3/c18-15-8-14(10-17(15)9-12-6-7-12)16(19)20-11-13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1
InChIKeyOQFIXBVTFGBGJF-CQSZACIVSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds5

About cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 95352331) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID95352331
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namecyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC1CCCCC1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H25NO3/c18-15-8-14(10-17(15)9-12-6-7-12)16(19)20-11-13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1
InChIKeyOQFIXBVTFGBGJF-CQSZACIVSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95572890
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 95352331) is cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(OCC1CCCCC1)[C@@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OQFIXBVTFGBGJF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15-8-14(10-17(15)9-12-6-7-12)16(19)20-11-13-4-2-1-3-5-13/h12-14H,1-11H2/t14-/m1/s1.
What are the key properties of cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 95352331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).