4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid

C11H16N2O6 — CID 66157132

IUPAC4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cc(COC)on1)C(=O)O
InChIInChI=1S/C11H16N2O6/c1-17-4-3-8(11(15)16)12-10(14)9-5-7(6-18-2)19-13-9/h5,8H,3-4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHVUYGVVENNTENP-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.04
Rot. Bonds8

About 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid

4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (PubChem CID 66157132) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
PubChem CID66157132
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cc(COC)on1)C(=O)O
InChIInChI=1S/C11H16N2O6/c1-17-4-3-8(11(15)16)12-10(14)9-5-7(6-18-2)19-13-9/h5,8H,3-4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHVUYGVVENNTENP-UHFFFAOYSA-N
XLogP0.04
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 80698227

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (CID 66157132) is 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is COCCC(NC(=O)c1cc(COC)on1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The InChIKey is HVUYGVVENNTENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-17-4-3-8(11(15)16)12-10(14)9-5-7(6-18-2)19-13-9/h5,8H,3-4,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid has a molecular weight of 272.26 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66157132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).