(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

C17H26N2O5 — CID 125153354

IUPAC(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCC1CCC(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)O)C3)CC2=O)CC1
InChIInChI=1S/C17H26N2O5/c1-11-2-4-13(5-3-11)19-9-12(8-15(19)20)16(21)18-6-7-24-14(10-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13?,14-/m0/s1
InChIKeyUDUHBPJRZGWSCZ-YIOUJQMASA-N
MW338.40 g/mol
LogP0.73
Rot. Bonds3

About (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125153354) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID125153354
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCC1CCC(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)O)C3)CC2=O)CC1
InChIInChI=1S/C17H26N2O5/c1-11-2-4-13(5-3-11)19-9-12(8-15(19)20)16(21)18-6-7-24-14(10-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13?,14-/m0/s1
InChIKeyUDUHBPJRZGWSCZ-YIOUJQMASA-N
XLogP0.73
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
CID 78926608
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119377515
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119635263
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (CID 125153354) is (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is CC1CCC(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)O)C3)CC2=O)CC1.
What is the InChIKey of (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is UDUHBPJRZGWSCZ-YIOUJQMASA-N. The full InChI is InChI=1S/C17H26N2O5/c1-11-2-4-13(5-3-11)19-9-12(8-15(19)20)16(21)18-6-7-24-14(10-18)17(22)23/h11-14H,2-10H2,1H3,(H,22,23)/t11?,12-,13?,14-/m0/s1.
What are the key properties of (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 338.40 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125153354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).