(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C19H25N3O3 — CID 95303357

IUPAC(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-21-13-15(12-17(21)23)18(24)20-16(11-14-7-3-2-4-8-14)19(25)22-9-5-6-10-22/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyIDOCRBOKCPOSRW-CVEARBPZSA-N
MW343.43 g/mol
LogP0.81
Rot. Bonds5

About (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 95303357) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID95303357
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-21-13-15(12-17(21)23)18(24)20-16(11-14-7-3-2-4-8-14)19(25)22-9-5-6-10-22/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyIDOCRBOKCPOSRW-CVEARBPZSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95291646
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 108803627
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 95303357) is (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1=O.
What is the InChIKey of (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is IDOCRBOKCPOSRW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21-13-15(12-17(21)23)18(24)20-16(11-14-7-3-2-4-8-14)19(25)22-9-5-6-10-22/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,24)/t15-,16+/m1/s1.
What are the key properties of (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95303357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).