3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 63043691

IUPAC3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-15(11-5-6-11)12(16)8-14-10-4-2-3-9(7-10)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyCPVNWXONJJRCID-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds5

About 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043691) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043691
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-15(11-5-6-11)12(16)8-14-10-4-2-3-9(7-10)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyCPVNWXONJJRCID-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63042085
2-(cyclopentylamino)-N-methyl-N-(3-methylcyclohexyl)acetamide
CID 54948955
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
2-(cyclopentylamino)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 60939306
3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043525
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115277300

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 63043691) is 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)CNC1CCCC(C(=O)O)C1)C1CC1.
What is the InChIKey of 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CPVNWXONJJRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(11-5-6-11)12(16)8-14-10-4-2-3-9(7-10)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).