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

C16H29NO2 — CID 106979297

IUPAC1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC1CCCC(C)C1
InChIInChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-5-10-17(16)12-14-7-4-6-13(2)11-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyCEJWQANYKIDFHJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

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

1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979297) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979297
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC1CCCC(C)C1
InChIInChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-5-10-17(16)12-14-7-4-6-13(2)11-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyCEJWQANYKIDFHJ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978791
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103997094
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685
1-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978859
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978881
1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979297) is 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CC1CCCC(C)C1.
What is the InChIKey of 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is CEJWQANYKIDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-5-10-17(16)12-14-7-4-6-13(2)11-14/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).