carbonic acid;oxirane-2-carboxamide

C4H7NO5 — CID 87800333

IUPACcarbonic acid;oxirane-2-carboxamide
SMILESNC(=O)C1CO1.O=C(O)O
InChIInChI=1S/C3H5NO2.CH2O3/c4-3(5)2-1-6-2;2-1(3)4/h2H,1H2,(H2,4,5);(H2,2,3,4)
InChIKeyVMUAXAPQJPUJIK-UHFFFAOYSA-N
MW149.10 g/mol
LogP-0.91
Rot. Bonds1

About carbonic acid;oxirane-2-carboxamide

carbonic acid;oxirane-2-carboxamide (PubChem CID 87800333) has the molecular formula C4H7NO5 and a molecular weight of 149.10 g/mol. Its IUPAC name is carbonic acid;oxirane-2-carboxamide.

Molecular Properties

Compound Namecarbonic acid;oxirane-2-carboxamide
PubChem CID87800333
Molecular FormulaC4H7NO5
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Namecarbonic acid;oxirane-2-carboxamide
SMILESNC(=O)C1CO1.O=C(O)O
InChIInChI=1S/C3H5NO2.CH2O3/c4-3(5)2-1-6-2;2-1(3)4/h2H,1H2,(H2,4,5);(H2,2,3,4)
InChIKeyVMUAXAPQJPUJIK-UHFFFAOYSA-N
XLogP-0.91
TPSA113.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;oxirane-2-carboxamide?
The IUPAC name of carbonic acid;oxirane-2-carboxamide (CID 87800333) is carbonic acid;oxirane-2-carboxamide.
What is the SMILES notation for carbonic acid;oxirane-2-carboxamide?
The canonical SMILES for carbonic acid;oxirane-2-carboxamide is NC(=O)C1CO1.O=C(O)O.
What is the InChIKey of carbonic acid;oxirane-2-carboxamide?
The InChIKey is VMUAXAPQJPUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.CH2O3/c4-3(5)2-1-6-2;2-1(3)4/h2H,1H2,(H2,4,5);(H2,2,3,4).
What are the key properties of carbonic acid;oxirane-2-carboxamide?
carbonic acid;oxirane-2-carboxamide has a molecular weight of 149.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;oxirane-2-carboxamide is sourced from PubChem (CID 87800333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).