(4-methoxycyclohexyl)carbamic acid

C8H15NO3 — CID 68557751

IUPAC(4-methoxycyclohexyl)carbamic acid
SMILESCOC1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-12-7-4-2-6(3-5-7)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyGRDBIUDZYGASEO-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.21
Rot. Bonds2

About (4-methoxycyclohexyl)carbamic acid

(4-methoxycyclohexyl)carbamic acid (PubChem CID 68557751) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-methoxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(4-methoxycyclohexyl)carbamic acid
PubChem CID68557751
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4-methoxycyclohexyl)carbamic acid
SMILESCOC1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-12-7-4-2-6(3-5-7)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyGRDBIUDZYGASEO-UHFFFAOYSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)carbamic acid?
The IUPAC name of (4-methoxycyclohexyl)carbamic acid (CID 68557751) is (4-methoxycyclohexyl)carbamic acid.
What is the SMILES notation for (4-methoxycyclohexyl)carbamic acid?
The canonical SMILES for (4-methoxycyclohexyl)carbamic acid is COC1CCC(NC(=O)O)CC1.
What is the InChIKey of (4-methoxycyclohexyl)carbamic acid?
The InChIKey is GRDBIUDZYGASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-7-4-2-6(3-5-7)9-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of (4-methoxycyclohexyl)carbamic acid?
(4-methoxycyclohexyl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)carbamic acid is sourced from PubChem (CID 68557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).