(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid

C5H7NO5 — CID 118384856

IUPAC(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1COC(=O)O1
InChIInChI=1S/C5H7NO5/c7-4(8)6-1-3-2-10-5(9)11-3/h3,6H,1-2H2,(H,7,8)
InChIKeyGNMNSBKVVBODOG-UHFFFAOYSA-N
MW161.11 g/mol
LogP-0.21
Rot. Bonds2

About (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid

(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid (PubChem CID 118384856) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid
PubChem CID118384856
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1COC(=O)O1
InChIInChI=1S/C5H7NO5/c7-4(8)6-1-3-2-10-5(9)11-3/h3,6H,1-2H2,(H,7,8)
InChIKeyGNMNSBKVVBODOG-UHFFFAOYSA-N
XLogP-0.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid (CID 118384856) is (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid is O=C(O)NCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid?
The InChIKey is GNMNSBKVVBODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c7-4(8)6-1-3-2-10-5(9)11-3/h3,6H,1-2H2,(H,7,8).
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid?
(2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid has a molecular weight of 161.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methylcarbamic acid is sourced from PubChem (CID 118384856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).