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

C12H18N2O5 — CID 81066277

IUPAC3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(COC)on1)CC(=O)O
InChIInChI=1S/C12H18N2O5/c1-3-8(4-11(15)16)6-13-12(17)10-5-9(7-18-2)19-14-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWVKRWJZJTOMUFB-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.05
Rot. Bonds8

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

3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid (PubChem CID 81066277) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
PubChem CID81066277
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(COC)on1)CC(=O)O
InChIInChI=1S/C12H18N2O5/c1-3-8(4-11(15)16)6-13-12(17)10-5-9(7-18-2)19-14-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWVKRWJZJTOMUFB-UHFFFAOYSA-N
XLogP1.05
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.05
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
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
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
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
3-(4-bromophenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119188760
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid (CID 81066277) is 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid is CCC(CNC(=O)c1cc(COC)on1)CC(=O)O.
What is the InChIKey of 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is WVKRWJZJTOMUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-3-8(4-11(15)16)6-13-12(17)10-5-9(7-18-2)19-14-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid?
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 270.28 g/mol, XLogP of 1.05, 8 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]methyl]pentanoic acid is sourced from PubChem (CID 81066277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).