1,3-oxazolidine-2,2-dicarboxylic acid

C5H7NO5 — CID 141317783

IUPAC1,3-oxazolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)NCCO1
InChIInChI=1S/C5H7NO5/c7-3(8)5(4(9)10)6-1-2-11-5/h6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyFAAWECNSILPHMQ-UHFFFAOYSA-N
MW161.11 g/mol
LogP-1.53
Rot. Bonds2

About 1,3-oxazolidine-2,2-dicarboxylic acid

1,3-oxazolidine-2,2-dicarboxylic acid (PubChem CID 141317783) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 1,3-oxazolidine-2,2-dicarboxylic acid.

Molecular Properties

Compound Name1,3-oxazolidine-2,2-dicarboxylic acid
PubChem CID141317783
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name1,3-oxazolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)NCCO1
InChIInChI=1S/C5H7NO5/c7-3(8)5(4(9)10)6-1-2-11-5/h6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyFAAWECNSILPHMQ-UHFFFAOYSA-N
XLogP-1.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-1.53
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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Related Compounds

1,3-Oxazolidine-2,4-dicarboxylic acid
CID 66552118
2-(Trifluoromethyl)-1,3-oxazolidine-2-carboxylic acid
CID 162536129
5-(s)-Boc-oxaproline
CID 156595919
2-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 22476043
4-Oxo-1,3-oxazolidine-2,5-dicarboxylic acid
CID 70122267
2-Carbamoyl-1,3-oxazolidine-2-carboxylic acid
CID 174337910
5-Oxo-1,3-oxazolidine-2,4-dicarboxylic acid
CID 174859409
2-(1,3-Oxazolidin-2-yl)-2-oxoacetic acid
CID 174974920
Methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
CID 175491965
(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid
CID 24804854
(4S)-1,3-oxazolidine-2,4-dicarboxylic acid
CID 130642211
2-Ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 174826920

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2,2-dicarboxylic acid?
The IUPAC name of 1,3-oxazolidine-2,2-dicarboxylic acid (CID 141317783) is 1,3-oxazolidine-2,2-dicarboxylic acid.
What is the SMILES notation for 1,3-oxazolidine-2,2-dicarboxylic acid?
The canonical SMILES for 1,3-oxazolidine-2,2-dicarboxylic acid is O=C(O)C1(C(=O)O)NCCO1.
What is the InChIKey of 1,3-oxazolidine-2,2-dicarboxylic acid?
The InChIKey is FAAWECNSILPHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c7-3(8)5(4(9)10)6-1-2-11-5/h6H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 1,3-oxazolidine-2,2-dicarboxylic acid?
1,3-oxazolidine-2,2-dicarboxylic acid has a molecular weight of 161.11 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2,2-dicarboxylic acid is sourced from PubChem (CID 141317783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).