3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid

C9H18N2O3 — CID 146598884

IUPAC3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid
SMILESCN(CCCOC1CC(N)C1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(9(12)13)3-2-4-14-8-5-7(10)6-8/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyVLDYOGDOXBQROL-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.49
Rot. Bonds5

About 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid

3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid (PubChem CID 146598884) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid.

Molecular Properties

Compound Name3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid
PubChem CID146598884
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid
SMILESCN(CCCOC1CC(N)C1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-11(9(12)13)3-2-4-14-8-5-7(10)6-8/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyVLDYOGDOXBQROL-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid?
The IUPAC name of 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid (CID 146598884) is 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid.
What is the SMILES notation for 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid?
The canonical SMILES for 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid is CN(CCCOC1CC(N)C1)C(=O)O.
What is the InChIKey of 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid?
The InChIKey is VLDYOGDOXBQROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11(9(12)13)3-2-4-14-8-5-7(10)6-8/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid?
3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid has a molecular weight of 202.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclobutyl)oxypropyl-methylcarbamic acid is sourced from PubChem (CID 146598884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).