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

C10H14N2O5 — CID 66158499

IUPAC3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCc1cc(C(=O)NC(C)CC(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(3-9(13)14)11-10(15)8-4-7(5-16-2)17-12-8/h4,6H,3,5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQLQXZNWNXRFGDR-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.41
Rot. Bonds6

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

3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (PubChem CID 66158499) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
PubChem CID66158499
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCc1cc(C(=O)NC(C)CC(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(3-9(13)14)11-10(15)8-4-7(5-16-2)17-12-8/h4,6H,3,5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQLQXZNWNXRFGDR-UHFFFAOYSA-N
XLogP0.41
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
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
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
CID 81066277
3-(4-bromophenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119188760
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
3-(4-tert-butylphenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119209956
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (CID 66158499) is 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is COCc1cc(C(=O)NC(C)CC(=O)O)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The InChIKey is QLQXZNWNXRFGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(3-9(13)14)11-10(15)8-4-7(5-16-2)17-12-8/h4,6H,3,5H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66158499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).