(4-methoxycyclohexyl)methylcarbamic acid

C9H17NO3 — CID 23147931

IUPAC(4-methoxycyclohexyl)methylcarbamic acid
SMILESCOC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-8-4-2-7(3-5-8)6-10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyYVFIKGZNLMYMPY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.46
Rot. Bonds3

About (4-methoxycyclohexyl)methylcarbamic acid

(4-methoxycyclohexyl)methylcarbamic acid (PubChem CID 23147931) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4-methoxycyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-methoxycyclohexyl)methylcarbamic acid
PubChem CID23147931
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4-methoxycyclohexyl)methylcarbamic acid
SMILESCOC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-13-8-4-2-7(3-5-8)6-10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyYVFIKGZNLMYMPY-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

(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
(4-methoxycyclohexyl)carbamic acid
CID 68557751
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694
methyl 3-(4-methoxycyclohexyl)-2-oxopropanoate
CID 18370485
(1-amino-4-methoxycyclohexyl)methylcarbamic acid
CID 138598418
[4-[(E)-3-chloroprop-1-enyl]cyclohexyl]methylcarbamic acid
CID 141050171
potassium;hydride;2-(3-methoxycyclopentyl)acetic acid
CID 173013744
[4-(3-bromopropoxymethyl)cyclohexyl]methylcarbamic acid
CID 141050296
[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid
CID 22568053
(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)methylcarbamic acid?
The IUPAC name of (4-methoxycyclohexyl)methylcarbamic acid (CID 23147931) is (4-methoxycyclohexyl)methylcarbamic acid.
What is the SMILES notation for (4-methoxycyclohexyl)methylcarbamic acid?
The canonical SMILES for (4-methoxycyclohexyl)methylcarbamic acid is COC1CCC(CNC(=O)O)CC1.
What is the InChIKey of (4-methoxycyclohexyl)methylcarbamic acid?
The InChIKey is YVFIKGZNLMYMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-8-4-2-7(3-5-8)6-10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of (4-methoxycyclohexyl)methylcarbamic acid?
(4-methoxycyclohexyl)methylcarbamic 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-methoxycyclohexyl)methylcarbamic acid is sourced from PubChem (CID 23147931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).