2-carbamoyl-1,3-oxazolidine-2-carboxylic acid

C5H8N2O4 — CID 174337910

IUPAC2-carbamoyl-1,3-oxazolidine-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)NCCO1
InChIInChI=1S/C5H8N2O4/c6-3(8)5(4(9)10)7-1-2-11-5/h7H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVTWRUIJLXLUQCM-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.13
Rot. Bonds2

About 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid

2-carbamoyl-1,3-oxazolidine-2-carboxylic acid (PubChem CID 174337910) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-1,3-oxazolidine-2-carboxylic acid
PubChem CID174337910
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2-carbamoyl-1,3-oxazolidine-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)NCCO1
InChIInChI=1S/C5H8N2O4/c6-3(8)5(4(9)10)7-1-2-11-5/h7H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVTWRUIJLXLUQCM-UHFFFAOYSA-N
XLogP-2.13
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid (CID 174337910) is 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid is NC(=O)C1(C(=O)O)NCCO1.
What is the InChIKey of 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is VTWRUIJLXLUQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c6-3(8)5(4(9)10)7-1-2-11-5/h7H,1-2H2,(H2,6,8)(H,9,10).
What are the key properties of 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid?
2-carbamoyl-1,3-oxazolidine-2-carboxylic acid has a molecular weight of 160.13 g/mol, XLogP of -2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 174337910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).