(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C21H28N2O2 — CID 97140593

IUPAC(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C21H28N2O2/c1-21(2,12-14-9-15-5-3-4-6-16(15)10-14)22-20(25)17-11-19(24)23(13-17)18-7-8-18/h3-6,14,17-18H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyNEXVKBVWLHLNIP-KRWDZBQOSA-N
MW340.47 g/mol
LogP2.70
Rot. Bonds5

About (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97140593) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97140593
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C21H28N2O2/c1-21(2,12-14-9-15-5-3-4-6-16(15)10-14)22-20(25)17-11-19(24)23(13-17)18-7-8-18/h3-6,14,17-18H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyNEXVKBVWLHLNIP-KRWDZBQOSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261581
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119203994
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94074863
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 111482781
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 97140593) is (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NEXVKBVWLHLNIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,12-14-9-15-5-3-4-6-16(15)10-14)22-20(25)17-11-19(24)23(13-17)18-7-8-18/h3-6,14,17-18H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97140593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).