(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C17H21N3O2 — CID 95765004

IUPAC(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESC[C@@H](C#N)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-13(11-18)12-19-17(22)15-8-5-9-20(15)16(21)10-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-10,12H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyGFRGCIQCJZOXHO-ZFWWWQNUSA-N
MW299.37 g/mol
LogP1.50
Rot. Bonds5

About (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 95765004) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID95765004
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESC[C@@H](C#N)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-13(11-18)12-19-17(22)15-8-5-9-20(15)16(21)10-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-10,12H2,1H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyGFRGCIQCJZOXHO-ZFWWWQNUSA-N
XLogP1.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
N'-(2-hydroxybenzoyl)-1-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 47923812
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 95765004) is (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is C[C@@H](C#N)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is GFRGCIQCJZOXHO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(11-18)12-19-17(22)15-8-5-9-20(15)16(21)10-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-10,12H2,1H3,(H,19,22)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95765004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).