(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C12H20N2O3 — CID 94869872

IUPAC(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-17-6-2-5-13-12(16)9-7-11(15)14(8-9)10-3-4-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyJMPATNJDFSVAIU-VIFPVBQESA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds6

About (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94869872) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94869872
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-17-6-2-5-13-12(16)9-7-11(15)14(8-9)10-3-4-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyJMPATNJDFSVAIU-VIFPVBQESA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-1-cyclopropyl-5-oxo-N-[3-(2-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 94627844
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 71880063
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
1-cyclopropyl-5-oxo-N-[(E)-pent-3-enyl]pyrrolidine-3-carboxamide
CID 115628313
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 94869872) is (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JMPATNJDFSVAIU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-6-2-5-13-12(16)9-7-11(15)14(8-9)10-3-4-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94869872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).