(3-methoxycyclobutyl)carbamic acid

C6H11NO3 — CID 134589311

IUPAC(3-methoxycyclobutyl)carbamic acid
SMILESCOC1CC(NC(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-10-5-2-4(3-5)7-6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyHHBIMDNGBFTKDF-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.43
Rot. Bonds2

About (3-methoxycyclobutyl)carbamic acid

(3-methoxycyclobutyl)carbamic acid (PubChem CID 134589311) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3-methoxycyclobutyl)carbamic acid.

Molecular Properties

Compound Name(3-methoxycyclobutyl)carbamic acid
PubChem CID134589311
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3-methoxycyclobutyl)carbamic acid
SMILESCOC1CC(NC(=O)O)C1
InChIInChI=1S/C6H11NO3/c1-10-5-2-4(3-5)7-6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyHHBIMDNGBFTKDF-UHFFFAOYSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclobutyl)carbamic acid?
The IUPAC name of (3-methoxycyclobutyl)carbamic acid (CID 134589311) is (3-methoxycyclobutyl)carbamic acid.
What is the SMILES notation for (3-methoxycyclobutyl)carbamic acid?
The canonical SMILES for (3-methoxycyclobutyl)carbamic acid is COC1CC(NC(=O)O)C1.
What is the InChIKey of (3-methoxycyclobutyl)carbamic acid?
The InChIKey is HHBIMDNGBFTKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-5-2-4(3-5)7-6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of (3-methoxycyclobutyl)carbamic acid?
(3-methoxycyclobutyl)carbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl)carbamic acid is sourced from PubChem (CID 134589311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).