[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid

C10H19NO3 — CID 175095989

IUPAC[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CC(CO)C1)NC(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,11-9(13)14)5-7-3-8(4-7)6-12/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZLYTWJUHOSOCLU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.44
Rot. Bonds4

About [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid

[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175095989) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175095989
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CC(CO)C1)NC(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,11-9(13)14)5-7-3-8(4-7)6-12/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZLYTWJUHOSOCLU-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid (CID 175095989) is [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid is CC(C)(CC1CC(CO)C1)NC(=O)O.
What is the InChIKey of [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is ZLYTWJUHOSOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,11-9(13)14)5-7-3-8(4-7)6-12/h7-8,11-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid?
[1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 201.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(hydroxymethyl)cyclobutyl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).