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

C11H14N2O7 — CID 66156134

IUPAC2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
SMILESCOCc1cc(C(=O)NC(CCC(=O)O)C(=O)O)no1
InChIInChI=1S/C11H14N2O7/c1-19-5-6-4-8(13-20-6)10(16)12-7(11(17)18)2-3-9(14)15/h4,7H,2-3,5H2,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyHFIIQLOCZHADOM-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.13
Rot. Bonds8

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

2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid (PubChem CID 66156134) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
PubChem CID66156134
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
SMILESCOCc1cc(C(=O)NC(CCC(=O)O)C(=O)O)no1
InChIInChI=1S/C11H14N2O7/c1-19-5-6-4-8(13-20-6)10(16)12-7(11(17)18)2-3-9(14)15/h4,7H,2-3,5H2,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyHFIIQLOCZHADOM-UHFFFAOYSA-N
XLogP-0.13
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
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-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
CID 81066277

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid?
The IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid (CID 66156134) is 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid is COCc1cc(C(=O)NC(CCC(=O)O)C(=O)O)no1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid?
The InChIKey is HFIIQLOCZHADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O7/c1-19-5-6-4-8(13-20-6)10(16)12-7(11(17)18)2-3-9(14)15/h4,7H,2-3,5H2,1H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid?
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid has a molecular weight of 286.24 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 66156134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).