1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid

C15H25NO3 — CID 67695607

IUPAC1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(C)C)[C@@H](N2C(=O)CCC2C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)16-12(15(18)19)6-7-14(16)17/h9-13H,4-8H2,1-3H3,(H,18,19)/t10?,11?,12?,13-/m0/s1
InChIKeyVJAOCVJEGLUXFG-SKQCGHHBSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds3

About 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67695607) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67695607
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(C)C)[C@@H](N2C(=O)CCC2C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)16-12(15(18)19)6-7-14(16)17/h9-13H,4-8H2,1-3H3,(H,18,19)/t10?,11?,12?,13-/m0/s1
InChIKeyVJAOCVJEGLUXFG-SKQCGHHBSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 161213558
1-[(4-methylcyclohexyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354754
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
trans-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S)-2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 101334587
(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 175427928
(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45096358
2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
CID 104599223
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 65066159
2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylacetic acid
CID 170995164
1-butan-2-yl-5-oxopyrrolidine-2-carboxylic acid
CID 6624620

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid (CID 67695607) is 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid is CC1CCC(C(C)C)[C@@H](N2C(=O)CCC2C(=O)O)C1.
What is the InChIKey of 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is VJAOCVJEGLUXFG-SKQCGHHBSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)16-12(15(18)19)6-7-14(16)17/h9-13H,4-8H2,1-3H3,(H,18,19)/t10?,11?,12?,13-/m0/s1.
What are the key properties of 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67695607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).