2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid

C12H22N2O3 — CID 61266736

IUPAC2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,10(15)16)14-11(17)13-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyHGPPJTBMUCVSGD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.87
Rot. Bonds3

About 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid

2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 61266736) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
PubChem CID61266736
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)NC1CCCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,10(15)16)14-11(17)13-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyHGPPJTBMUCVSGD-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792259
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
1-tert-butyl-3-cyclobutylurea
CID 17217146
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid (CID 61266736) is 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid is CC(C)(NC(=O)NC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is HGPPJTBMUCVSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,10(15)16)14-11(17)13-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid?
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61266736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).