1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 43441762

IUPAC1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)CN2CCCC2C(=O)O)C1C
InChIInChI=1S/C15H26N2O3/c1-10-5-3-6-12(11(10)2)16-14(18)9-17-8-4-7-13(17)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOLMIORLXYBVFHC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441762) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43441762
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)CN2CCCC2C(=O)O)C1C
InChIInChI=1S/C15H26N2O3/c1-10-5-3-6-12(11(10)2)16-14(18)9-17-8-4-7-13(17)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOLMIORLXYBVFHC-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18271170
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79001469
N-(2,3-dimethylcyclohexyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768358
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43441762) is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is CC1CCCC(NC(=O)CN2CCCC2C(=O)O)C1C.
What is the InChIKey of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OLMIORLXYBVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-3-6-12(11(10)2)16-14(18)9-17-8-4-7-13(17)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).