[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate

C12H21NO4 — CID 57323212

IUPAC[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate
SMILESCC(C)COC(=O)NC1(OC=O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-10(2)8-16-11(15)13-12(17-9-14)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyCQQXXBCIFSOAHK-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.20
Rot. Bonds5

About [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate

[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate (PubChem CID 57323212) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate.

Molecular Properties

Compound Name[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate
PubChem CID57323212
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate
SMILESCC(C)COC(=O)NC1(OC=O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-10(2)8-16-11(15)13-12(17-9-14)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyCQQXXBCIFSOAHK-UHFFFAOYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate?
The IUPAC name of [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate (CID 57323212) is [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate.
What is the SMILES notation for [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate?
The canonical SMILES for [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate is CC(C)COC(=O)NC1(OC=O)CCCCC1.
What is the InChIKey of [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate?
The InChIKey is CQQXXBCIFSOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10(2)8-16-11(15)13-12(17-9-14)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate?
[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate has a molecular weight of 243.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropoxycarbonylamino)cyclohexyl] formate is sourced from PubChem (CID 57323212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).