2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 103997094

IUPAC2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCC1CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(14(19)20)8-5-9-18(16)15(21)17-11-13-7-4-6-12(2)10-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyREEMHXHKLXJDMA-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 103997094) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID103997094
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCC1CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(14(19)20)8-5-9-18(16)15(21)17-11-13-7-4-6-12(2)10-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyREEMHXHKLXJDMA-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063989
1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978366
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071053
1-[(3-methylcyclohexyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979297
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
2-ethyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644891
1-(2-carbamoyloxyethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83203913
2-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070246
1-[(3,3-dimethylcyclohexyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83062877
2-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363999

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 103997094) is 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCC1CCCC(C)C1.
What is the InChIKey of 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is REEMHXHKLXJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(14(19)20)8-5-9-18(16)15(21)17-11-13-7-4-6-12(2)10-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103997094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).