methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid

C10H17NO3 — CID 22236360

IUPACmethyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CC=O)CC1
InChIInChI=1S/C10H17NO3/c1-11(10(13)14)9-4-2-8(3-5-9)6-7-12/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyHTRCSCVPLOGTCA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.74
Rot. Bonds3

About methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid

methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid (PubChem CID 22236360) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid
PubChem CID22236360
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CC=O)CC1
InChIInChI=1S/C10H17NO3/c1-11(10(13)14)9-4-2-8(3-5-9)6-7-12/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyHTRCSCVPLOGTCA-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid (CID 22236360) is methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid is CN(C(=O)O)C1CCC(CC=O)CC1.
What is the InChIKey of methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid?
The InChIKey is HTRCSCVPLOGTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(10(13)14)9-4-2-8(3-5-9)6-7-12/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid?
methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid has a molecular weight of 199.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 22236360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).