1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 115443035

IUPAC1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)NC2CC2(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-6-15(7-5-10,12(18)19)9-16-13(20)17-11-8-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyZGCHSLURXGQRDT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds4

About 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115443035) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115443035
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)NC2CC2(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-6-15(7-5-10,12(18)19)9-16-13(20)17-11-8-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyZGCHSLURXGQRDT-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
4-methyl-1-[(2-methylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115443043
1-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442563
1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441031
1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443019
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[[3-(ethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442654
1-[(3-ethoxypropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310360
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115443035) is 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)NC2CC2(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is ZGCHSLURXGQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-4-6-15(7-5-10,12(18)19)9-16-13(20)17-11-8-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115443035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).