(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide

C9H16N2O2 — CID 15486634

IUPAC(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H16N2O2/c1-2-3-6-10-9(13)7-4-5-8(12)11-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKeyUICDNADSGVMHKL-ZETCQYMHSA-N
MW184.24 g/mol
LogP0.18
Rot. Bonds4

About (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 15486634) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide
PubChem CID15486634
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H16N2O2/c1-2-3-6-10-9(13)7-4-5-8(12)11-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKeyUICDNADSGVMHKL-ZETCQYMHSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide (CID 15486634) is (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UICDNADSGVMHKL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-6-10-9(13)7-4-5-8(12)11-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-butyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 15486634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).