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

C11H16N2O5 — CID 66157136

IUPAC4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
SMILESCOCc1cc(C(=O)NC(C)CCC(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-7(3-4-10(14)15)12-11(16)9-5-8(6-17-2)18-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLFWCHXLZIHNNBW-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.80
Rot. Bonds7

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

4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid (PubChem CID 66157136) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
PubChem CID66157136
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
SMILESCOCc1cc(C(=O)NC(C)CCC(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-7(3-4-10(14)15)12-11(16)9-5-8(6-17-2)18-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLFWCHXLZIHNNBW-UHFFFAOYSA-N
XLogP0.80
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
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-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
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
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]methyl]pentanoic acid
CID 81066277
3-(4-bromophenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119188760

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid (CID 66157136) is 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid is COCc1cc(C(=O)NC(C)CCC(=O)O)no1.
What is the InChIKey of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The InChIKey is LFWCHXLZIHNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7(3-4-10(14)15)12-11(16)9-5-8(6-17-2)18-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 66157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).