1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 83219110

IUPAC1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-3-12-8-7-11(2)17(12)14(20)16-15(13(18)19)9-5-4-6-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFAEASKWFGBBBQC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83219110) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83219110
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-3-12-8-7-11(2)17(12)14(20)16-15(13(18)19)9-5-4-6-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFAEASKWFGBBBQC-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61208422
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 83227370
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 102783243
1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 83219110) is 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(C)N1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FAEASKWFGBBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-12-8-7-11(2)17(12)14(20)16-15(13(18)19)9-5-4-6-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83219110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).