4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid

C11H19NO3 — CID 60809665

IUPAC4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(13)12-9-5-3-8(4-6-9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAVCVVVOCEZYJIY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds3

About 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid

4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 60809665) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID60809665
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(13)12-9-5-3-8(4-6-9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAVCVVVOCEZYJIY-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
3-[1-(Acetylamino)ethyl]-1-adamantanecarboxylic acid
CID 2940952
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
(S)-5-((S)-Hexadecanoylamino)-7-methyl-octanoic acid
CID 9979014
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 2755996
4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
rac-2-[(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexyl]acetic acid
CID 69909588

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid (CID 60809665) is 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid is CC(C)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is AVCVVVOCEZYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)10(13)12-9-5-3-8(4-6-9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).