2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 16786937

IUPAC2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCNC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)7-9-15-13(19)16-14(12(17)18)8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGFNQYUVWUNRCDY-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid

2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 16786937) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID16786937
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCNC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)7-9-15-13(19)16-14(12(17)18)8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGFNQYUVWUNRCDY-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-{[(Propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid
CID 16789773
2-[4-(Dimethylcarbamoylamino)cyclohexyl]acetic acid
CID 118034860
N-[(2-methylcyclohexyl)carbamoyl]leucine
CID 4335343
(2R,3S)-3-methyl-2-(3-(2-methylcyclohexyl)ureido)pentanoic acid
CID 17579798
Cyclohexyl ureido dodecanoic acid
CID 132276249
4-Methyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16784083
2-Methyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16785408
1-(2,2,2-Trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16788400
2-Cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
CID 61183620
4-Ethyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61183971
1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61204771
2-Cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61204967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 16786937) is 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(C)CCNC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GFNQYUVWUNRCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)7-9-15-13(19)16-14(12(17)18)8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16786937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).