1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 83072608

IUPAC1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCCC(C)C2)CCCN1
InChIInChI=1S/C15H26N2O3/c1-3-14(8-5-9-16-14)12(18)17-15(13(19)20)7-4-6-11(2)10-15/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHWNJSLVPYPGNEP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds4

About 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 83072608) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID83072608
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCCC(C)C2)CCCN1
InChIInChI=1S/C15H26N2O3/c1-3-14(8-5-9-16-14)12(18)17-15(13(19)20)7-4-6-11(2)10-15/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHWNJSLVPYPGNEP-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106974958
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 55121392
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 83072608) is 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is CCC1(C(=O)NC2(C(=O)O)CCCC(C)C2)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is HWNJSLVPYPGNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-14(8-5-9-16-14)12(18)17-15(13(19)20)7-4-6-11(2)10-15/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83072608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).