(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide

C17H21N3O2 — CID 99832469

IUPAC(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C17H21N3O2/c1-3-12(2)16(21)19-15-8-9-20(17(15)22)11-14-6-4-13(10-18)5-7-14/h4-7,12,15H,3,8-9,11H2,1-2H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyMTNPBVNWAXFMTP-IUODEOHRSA-N
MW299.37 g/mol
LogP1.82
Rot. Bonds5

About (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide

(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide (PubChem CID 99832469) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide
PubChem CID99832469
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C17H21N3O2/c1-3-12(2)16(21)19-15-8-9-20(17(15)22)11-14-6-4-13(10-18)5-7-14/h4-7,12,15H,3,8-9,11H2,1-2H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyMTNPBVNWAXFMTP-IUODEOHRSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[1-[(4-cyanophenyl)methyl]-2-oxopiperidin-3-yl]nonanediamide
CID 11192796
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide
CID 166529368
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
4-[(3-amino-2-oxopiperidin-1-yl)methyl]benzonitrile
CID 11195559
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
4-[[3-(1,6-naphthyridin-4-ylamino)-2-oxopyrrolidin-1-yl]methyl]benzonitrile
CID 167795158
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 18392394
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide (CID 99832469) is (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O.
What is the InChIKey of (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The InChIKey is MTNPBVNWAXFMTP-IUODEOHRSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-12(2)16(21)19-15-8-9-20(17(15)22)11-14-6-4-13(10-18)5-7-14/h4-7,12,15H,3,8-9,11H2,1-2H3,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide is sourced from PubChem (CID 99832469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).