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

C12H21NO3 — CID 22280885

IUPACmethyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid
SMILESCN(CCC1CCC(CC=O)CC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(12(15)16)8-6-10-2-4-11(5-3-10)7-9-14/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyLMFXXQGDPNMGGP-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.38
Rot. Bonds5

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

methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid (PubChem CID 22280885) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid
PubChem CID22280885
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid
SMILESCN(CCC1CCC(CC=O)CC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(12(15)16)8-6-10-2-4-11(5-3-10)7-9-14/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyLMFXXQGDPNMGGP-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Cyclohexyl-3-oxobutyl)-methylcarbamic acid
CID 17981927
trans-(4-Formyl-cyclohexylmethyl)-methyl-carbamic acid tert-butyl ester
CID 21017798
4-Cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid
CID 22185349
(4-Formylcyclohexyl)-methylcarbamic acid
CID 22236272
(4-Formylcyclohexyl)methyl-methylcarbamic acid
CID 22236312
Methyl-[4-(2-oxoethyl)cyclohexyl]carbamic acid
CID 22236360
2-[4-[3-Hydroxypropyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
CID 22280842
2-[4-[2-[2-Hydroxyethyl(methyl)amino]-2-oxoethyl]cyclohexyl]ethyl-methylcarbamic acid
CID 22280846
2-[4-[2-Hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
CID 22280854
Methyl-[4-(3-oxopropyl)cyclohexyl]carbamic acid
CID 22567645
trans-[2-(4-Formyl-cyclohexyl)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 23395982
trans-Methyl-{2-[4-(2-oxo-ethyl)-cyclohexyl]-ethyl}-carbamic acid tert-butyl ester
CID 23395984

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid (CID 22280885) is methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid is CN(CCC1CCC(CC=O)CC1)C(=O)O.
What is the InChIKey of methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid?
The InChIKey is LMFXXQGDPNMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(12(15)16)8-6-10-2-4-11(5-3-10)7-9-14/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid?
methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid has a molecular weight of 227.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid is sourced from PubChem (CID 22280885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).