(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide

C14H22N2O3 — CID 129424104

IUPAC(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
SMILESC[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCCOC2)CC1=O
InChIInChI=1S/C14H22N2O3/c1-9-5-12(9)16-7-11(6-13(16)17)15-14(18)10-3-2-4-19-8-10/h9-12H,2-8H2,1H3,(H,15,18)/t9-,10+,11+,12+/m1/s1
InChIKeySOHWPTLYIMXMOA-RHYQMDGZSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds3

About (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide

(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide (PubChem CID 129424104) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
PubChem CID129424104
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
SMILESC[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCCOC2)CC1=O
InChIInChI=1S/C14H22N2O3/c1-9-5-12(9)16-7-11(6-13(16)17)15-14(18)10-3-2-4-19-8-10/h9-12H,2-8H2,1H3,(H,15,18)/t9-,10+,11+,12+/m1/s1
InChIKeySOHWPTLYIMXMOA-RHYQMDGZSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide with MolForge

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Related Compounds

(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
CID 138044350
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124844635
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
CID 131113536
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide (CID 129424104) is (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide is C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCCOC2)CC1=O.
What is the InChIKey of (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide?
The InChIKey is SOHWPTLYIMXMOA-RHYQMDGZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-5-12(9)16-7-11(6-13(16)17)15-14(18)10-3-2-4-19-8-10/h9-12H,2-8H2,1H3,(H,15,18)/t9-,10+,11+,12+/m1/s1.
What are the key properties of (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide?
(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 129424104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).