[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid

C8H14N2O4 — CID 90237916

IUPAC[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid
SMILESCON(C)C(=O)C1(NC(=O)O)CCC1
InChIInChI=1S/C8H14N2O4/c1-10(14-2)6(11)8(4-3-5-8)9-7(12)13/h9H,3-5H2,1-2H3,(H,12,13)
InChIKeyUOJXWUJOUSBKAN-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.20
Rot. Bonds3

About [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid

[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid (PubChem CID 90237916) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid
PubChem CID90237916
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid
SMILESCON(C)C(=O)C1(NC(=O)O)CCC1
InChIInChI=1S/C8H14N2O4/c1-10(14-2)6(11)8(4-3-5-8)9-7(12)13/h9H,3-5H2,1-2H3,(H,12,13)
InChIKeyUOJXWUJOUSBKAN-UHFFFAOYSA-N
XLogP0.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[methoxy(methyl)carbamoyl]thian-4-yl]carbamic acid
CID 146192283
1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide
CID 131206795
1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 137408252
N-methoxy-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 130361058
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
4-amino-N-methoxy-N-methyloxane-4-carboxamide
CID 115294673
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
N-methoxy-N,3-dimethylazetidine-3-carboxamide
CID 130808649
N-methoxy-N,1-dimethylcycloprop-2-ene-1-carboxamide
CID 89246188
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid (CID 90237916) is [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid is CON(C)C(=O)C1(NC(=O)O)CCC1.
What is the InChIKey of [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid?
The InChIKey is UOJXWUJOUSBKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-10(14-2)6(11)8(4-3-5-8)9-7(12)13/h9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid?
[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid has a molecular weight of 202.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 90237916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).