2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid

C7H10N2O5 — CID 130979863

IUPAC2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NC1CONC1=O
InChIInChI=1S/C7H10N2O5/c1-3(7(12)13)5(10)8-4-2-14-9-6(4)11/h3-4H,2H2,1H3,(H,8,10)(H,9,11)(H,12,13)
InChIKeyGVBXLVJZGNYYJK-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.75
Rot. Bonds3

About 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid

2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid (PubChem CID 130979863) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid
PubChem CID130979863
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NC1CONC1=O
InChIInChI=1S/C7H10N2O5/c1-3(7(12)13)5(10)8-4-2-14-9-6(4)11/h3-4H,2H2,1H3,(H,8,10)(H,9,11)(H,12,13)
InChIKeyGVBXLVJZGNYYJK-UHFFFAOYSA-N
XLogP-1.75
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.75
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

(2R)-2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 107570093
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79524440
2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 79524259
4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 21429042
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 6441072
3-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79523660
2-[2-oxo-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino]ethoxy]acetic acid
CID 79523376
2-[2-oxo-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino]ethyl]sulfanylacetic acid
CID 104570121
2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-oxopropanoic acid
CID 114898685
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79524181
4-(ethylamino)-1,2-oxazolidin-3-one
CID 130835768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid (CID 130979863) is 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid is CC(C(=O)O)C(=O)NC1CONC1=O.
What is the InChIKey of 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid?
The InChIKey is GVBXLVJZGNYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-3(7(12)13)5(10)8-4-2-14-9-6(4)11/h3-4H,2H2,1H3,(H,8,10)(H,9,11)(H,12,13).
What are the key properties of 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid?
2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid has a molecular weight of 202.17 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 130979863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).