(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C17H26N2O4 — CID 124682709

IUPAC(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(N2C[C@H](C(=O)N3CC[C@H](C(=O)O)C3)CC2=O)CC1
InChIInChI=1S/C17H26N2O4/c1-11-2-4-14(5-3-11)19-10-13(8-15(19)20)16(21)18-7-6-12(9-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13+,14?/m0/s1
InChIKeyULZFCDMTOVNJCN-YIFLHPOLSA-N
MW322.41 g/mol
LogP1.35
Rot. Bonds3

About (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 124682709) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID124682709
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(N2C[C@H](C(=O)N3CC[C@H](C(=O)O)C3)CC2=O)CC1
InChIInChI=1S/C17H26N2O4/c1-11-2-4-14(5-3-11)19-10-13(8-15(19)20)16(21)18-7-6-12(9-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13+,14?/m0/s1
InChIKeyULZFCDMTOVNJCN-YIFLHPOLSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119635263
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119377515
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119661802
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 124682709) is (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is CC1CCC(N2C[C@H](C(=O)N3CC[C@H](C(=O)O)C3)CC2=O)CC1.
What is the InChIKey of (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ULZFCDMTOVNJCN-YIFLHPOLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-2-4-14(5-3-11)19-10-13(8-15(19)20)16(21)18-7-6-12(9-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13+,14?/m0/s1.
What are the key properties of (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).