1,3-dioxol-2-yl(methyl)carbamic acid

C5H7NO4 — CID 54009924

IUPAC1,3-dioxol-2-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1OC=CO1
InChIInChI=1S/C5H7NO4/c1-6(4(7)8)5-9-2-3-10-5/h2-3,5H,1H3,(H,7,8)
InChIKeyKRPBBILRFREEJT-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.40
Rot. Bonds1

About 1,3-dioxol-2-yl(methyl)carbamic acid

1,3-dioxol-2-yl(methyl)carbamic acid (PubChem CID 54009924) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 1,3-dioxol-2-yl(methyl)carbamic acid.

Molecular Properties

Compound Name1,3-dioxol-2-yl(methyl)carbamic acid
PubChem CID54009924
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name1,3-dioxol-2-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1OC=CO1
InChIInChI=1S/C5H7NO4/c1-6(4(7)8)5-9-2-3-10-5/h2-3,5H,1H3,(H,7,8)
InChIKeyKRPBBILRFREEJT-UHFFFAOYSA-N
XLogP0.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-yl(methyl)carbamic acid?
The IUPAC name of 1,3-dioxol-2-yl(methyl)carbamic acid (CID 54009924) is 1,3-dioxol-2-yl(methyl)carbamic acid.
What is the SMILES notation for 1,3-dioxol-2-yl(methyl)carbamic acid?
The canonical SMILES for 1,3-dioxol-2-yl(methyl)carbamic acid is CN(C(=O)O)C1OC=CO1.
What is the InChIKey of 1,3-dioxol-2-yl(methyl)carbamic acid?
The InChIKey is KRPBBILRFREEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-6(4(7)8)5-9-2-3-10-5/h2-3,5H,1H3,(H,7,8).
What are the key properties of 1,3-dioxol-2-yl(methyl)carbamic acid?
1,3-dioxol-2-yl(methyl)carbamic acid has a molecular weight of 145.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-yl(methyl)carbamic acid is sourced from PubChem (CID 54009924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).