4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 60809879

IUPAC4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15-12(16)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNJBGEBOHDQKOAP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds6

About 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809879) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809879
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15-12(16)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNJBGEBOHDQKOAP-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
2-(cyclopropylamino)-N-(2,3-dimethylbutyl)acetamide
CID 64598291
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
N-(2-cyanopropyl)-2-(cyclopropylamino)acetamide
CID 62651694
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
4-hydroxy-4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499741
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60809879) is 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CC(C)CNC(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NJBGEBOHDQKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-15-12(16)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).