formyl-(3-methoxycyclobutyl)carbamic acid

C7H11NO4 — CID 88546756

IUPACformyl-(3-methoxycyclobutyl)carbamic acid
SMILESCOC1CC(N(C=O)C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-12-6-2-5(3-6)8(4-9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyCGILRBCQSRMSOH-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds3

About formyl-(3-methoxycyclobutyl)carbamic acid

formyl-(3-methoxycyclobutyl)carbamic acid (PubChem CID 88546756) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is formyl-(3-methoxycyclobutyl)carbamic acid.

Molecular Properties

Compound Nameformyl-(3-methoxycyclobutyl)carbamic acid
PubChem CID88546756
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameformyl-(3-methoxycyclobutyl)carbamic acid
SMILESCOC1CC(N(C=O)C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-12-6-2-5(3-6)8(4-9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyCGILRBCQSRMSOH-UHFFFAOYSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl-(3-methoxycyclobutyl)carbamic acid?
The IUPAC name of formyl-(3-methoxycyclobutyl)carbamic acid (CID 88546756) is formyl-(3-methoxycyclobutyl)carbamic acid.
What is the SMILES notation for formyl-(3-methoxycyclobutyl)carbamic acid?
The canonical SMILES for formyl-(3-methoxycyclobutyl)carbamic acid is COC1CC(N(C=O)C(=O)O)C1.
What is the InChIKey of formyl-(3-methoxycyclobutyl)carbamic acid?
The InChIKey is CGILRBCQSRMSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-6-2-5(3-6)8(4-9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of formyl-(3-methoxycyclobutyl)carbamic acid?
formyl-(3-methoxycyclobutyl)carbamic acid has a molecular weight of 173.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl-(3-methoxycyclobutyl)carbamic acid is sourced from PubChem (CID 88546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).