(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C19H26N2O3 — CID 96537614

IUPAC(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESC[C@@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCO1
InChIInChI=1S/C19H26N2O3/c1-19(10-6-12-24-19)14-20-18(23)16-9-5-11-21(16)17(22)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyCFSOFUUGPPGSBF-APWZRJJASA-N
MW330.43 g/mol
LogP1.91
Rot. Bonds5

About (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 96537614) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID96537614
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESC[C@@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCO1
InChIInChI=1S/C19H26N2O3/c1-19(10-6-12-24-19)14-20-18(23)16-9-5-11-21(16)17(22)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyCFSOFUUGPPGSBF-APWZRJJASA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95765004
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47897775
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 96537614) is (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is C[C@@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCO1.
What is the InChIKey of (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is CFSOFUUGPPGSBF-APWZRJJASA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(10-6-12-24-19)14-20-18(23)16-9-5-11-21(16)17(22)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,20,23)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 96537614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).