(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

C15H23N3O2 — CID 124846190

IUPAC(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1
InChIKeyIHYSMAGSCVFUFT-QWHCGFSZSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds4

About (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 124846190) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
PubChem CID124846190
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1
InChIKeyIHYSMAGSCVFUFT-QWHCGFSZSA-N
XLogP2.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 100641037
(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 124846176
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81155971
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461468
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
1-[(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446456
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxypropanoic acid
CID 66165308
N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 71887228
(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555627
2-[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)cyclobutyl]acetic acid
CID 79842474
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (CID 124846190) is (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is N#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is IHYSMAGSCVFUFT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124846190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).