(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide

C17H22N2O3 — CID 95242893

IUPAC(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O3/c1-12(18-17(21)15-7-4-10-22-15)13-5-2-6-14(11-13)19-9-3-8-16(19)20/h2,5-6,11-12,15H,3-4,7-10H2,1H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyYZUBVNPGMKSCPO-DOMZBBRYSA-N
MW302.37 g/mol
LogP2.17
Rot. Bonds4

About (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide

(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide (PubChem CID 95242893) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
PubChem CID95242893
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O3/c1-12(18-17(21)15-7-4-10-22-15)13-5-2-6-14(11-13)19-9-3-8-16(19)20/h2,5-6,11-12,15H,3-4,7-10H2,1H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyYZUBVNPGMKSCPO-DOMZBBRYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119307536
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119755952
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide (CID 95242893) is (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The InChIKey is YZUBVNPGMKSCPO-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(18-17(21)15-7-4-10-22-15)13-5-2-6-14(11-13)19-9-3-8-16(19)20/h2,5-6,11-12,15H,3-4,7-10H2,1H3,(H,18,21)/t12-,15+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95242893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).