3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid

C15H25NO3 — CID 119257576

IUPAC3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H25NO3/c1-11-4-3-5-12(8-11)9-13(17)16-7-6-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyDZNUGSXWGOJBHJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds3

About 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119257576) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119257576
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H25NO3/c1-11-4-3-5-12(8-11)9-13(17)16-7-6-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyDZNUGSXWGOJBHJ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone
CID 120820005
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124512423
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
(3S)-3-methyl-1-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125133836
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 119623917
4-methyl-1-[2-(thian-4-yl)acetyl]piperidine-4-carboxylic acid
CID 83145290
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid (CID 119257576) is 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid is CC1CCCC(CC(=O)N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DZNUGSXWGOJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-4-3-5-12(8-11)9-13(17)16-7-6-15(2,10-16)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).