[4-(methoxymethyl)cyclohexyl]carbamic acid

C9H17NO3 — CID 66699748

IUPAC[4-(methoxymethyl)cyclohexyl]carbamic acid
SMILESCOCC1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-6-7-2-4-8(5-3-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJWHXYADHIUOUAG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.46
Rot. Bonds3

About [4-(methoxymethyl)cyclohexyl]carbamic acid

[4-(methoxymethyl)cyclohexyl]carbamic acid (PubChem CID 66699748) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [4-(methoxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(methoxymethyl)cyclohexyl]carbamic acid
PubChem CID66699748
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[4-(methoxymethyl)cyclohexyl]carbamic acid
SMILESCOCC1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-6-7-2-4-8(5-3-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJWHXYADHIUOUAG-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxycyclohexyl)carbamic acid
CID 68557751
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
CID 138695815
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
CID 122128239
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
4-(methoxymethyl)cyclohexane-1-carboxylate
CID 154481896
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(methoxymethyl)cyclohexyl]carbamic acid (CID 66699748) is [4-(methoxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(methoxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(methoxymethyl)cyclohexyl]carbamic acid is COCC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(methoxymethyl)cyclohexyl]carbamic acid?
The InChIKey is JWHXYADHIUOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-7-2-4-8(5-3-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of [4-(methoxymethyl)cyclohexyl]carbamic acid?
[4-(methoxymethyl)cyclohexyl]carbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 66699748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).