[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid

C8H14N2O4 — CID 129247600

IUPAC[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid
SMILESCC(C)(O)C(=O)N1CC(NC(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-8(2,14)6(11)10-3-5(4-10)9-7(12)13/h5,9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyOXLWRJCMTRVQLF-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.76
Rot. Bonds2

About [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid

[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid (PubChem CID 129247600) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid
PubChem CID129247600
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid
SMILESCC(C)(O)C(=O)N1CC(NC(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-8(2,14)6(11)10-3-5(4-10)9-7(12)13/h5,9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyOXLWRJCMTRVQLF-UHFFFAOYSA-N
XLogP-0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid?
The IUPAC name of [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid (CID 129247600) is [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid is CC(C)(O)C(=O)N1CC(NC(=O)O)C1.
What is the InChIKey of [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid?
The InChIKey is OXLWRJCMTRVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-8(2,14)6(11)10-3-5(4-10)9-7(12)13/h5,9,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid?
[1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid has a molecular weight of 202.21 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-2-methylpropanoyl)azetidin-3-yl]carbamic acid is sourced from PubChem (CID 129247600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).