1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 115436769

IUPAC1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC1)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(9-11-5-6-11)13(19)15-10-14(12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyNVGRCDTVTNVCTI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds5

About 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436769) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436769
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC1)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(9-11-5-6-11)13(19)15-10-14(12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyNVGRCDTVTNVCTI-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(4,4,4-Trifluorobutan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 105945304
1-[[[1-(Trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106216303
1-[(2,2,3,3-Tetrafluoropropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106295161
1-[(2,2,2-Trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309770
1-[(2,2-Difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309793
1-[(2,2-Difluoroethylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310629
1-[[[2,2-Difluoroethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 113502852
1-[[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436764
1-[[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436847
1-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436907
1-[[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436972
4-Methyl-1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115442935

Frequently Asked Questions

What is the IUPAC name of 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436769) is 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(CC1CC1)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NVGRCDTVTNVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(9-11-5-6-11)13(19)15-10-14(12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).