3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid

C8H12N2O5 — CID 166393134

IUPAC3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid
SMILESCC1OC(=O)NC1C(=O)NCCC(=O)O
InChIInChI=1S/C8H12N2O5/c1-4-6(10-8(14)15-4)7(13)9-3-2-5(11)12/h4,6H,2-3H2,1H3,(H,9,13)(H,10,14)(H,11,12)
InChIKeyIDRAIACBIPACPN-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.93
Rot. Bonds4

About 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid

3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid (PubChem CID 166393134) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid
PubChem CID166393134
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid
SMILESCC1OC(=O)NC1C(=O)NCCC(=O)O
InChIInChI=1S/C8H12N2O5/c1-4-6(10-8(14)15-4)7(13)9-3-2-5(11)12/h4,6H,2-3H2,1H3,(H,9,13)(H,10,14)(H,11,12)
InChIKeyIDRAIACBIPACPN-UHFFFAOYSA-N
XLogP-0.93
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid (CID 166393134) is 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid is CC1OC(=O)NC1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid?
The InChIKey is IDRAIACBIPACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-4-6(10-8(14)15-4)7(13)9-3-2-5(11)12/h4,6H,2-3H2,1H3,(H,9,13)(H,10,14)(H,11,12).
What are the key properties of 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid?
3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid has a molecular weight of 216.19 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 166393134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).