(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C10H14NO3- — CID 6942092

IUPAC(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/p-1/t7-/m1/s1
InChIKeyDZQZKPNTCXAUKJ-SSDOTTSWSA-M
MW196.23 g/mol
LogP-0.47
Rot. Bonds2

About (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 6942092) has the molecular formula C10H14NO3- and a molecular weight of 196.23 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID6942092
Molecular FormulaC10H14NO3-
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/p-1/t7-/m1/s1
InChIKeyDZQZKPNTCXAUKJ-SSDOTTSWSA-M
XLogP-0.47
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777956
Methyl 5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylate
CID 20372066
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 776745
Sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
(3S)-5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 7046694
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942091
Methyl 1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 3107633
5-Oxo-1-(pentan-2-yl)pyrrolidine-3-carboxylic acid
CID 4777959

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 6942092) is (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DZQZKPNTCXAUKJ-SSDOTTSWSA-M. The full InChI is InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/p-1/t7-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 196.23 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6942092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).