4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid

C10H17N3O5 — CID 66264849

IUPAC4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
SMILESCNC1COCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-12-7-4-18-3-5(7)9(15)13-6(10(16)17)2-8(11)14/h5-7,12H,2-4H2,1H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyOQSJQDXOWKJDRI-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.33
Rot. Bonds6

About 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid

4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 66264849) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
PubChem CID66264849
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
SMILESCNC1COCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-12-7-4-18-3-5(7)9(15)13-6(10(16)17)2-8(11)14/h5-7,12H,2-4H2,1H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyOQSJQDXOWKJDRI-UHFFFAOYSA-N
XLogP-2.33
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66255034
3,3-dimethyl-2-[[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66266624
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 114005252
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid (CID 66264849) is 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid is CNC1COCC1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid?
The InChIKey is OQSJQDXOWKJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-12-7-4-18-3-5(7)9(15)13-6(10(16)17)2-8(11)14/h5-7,12H,2-4H2,1H3,(H2,11,14)(H,13,15)(H,16,17).
What are the key properties of 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid?
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 66264849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).