3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

C11H16N2O5 — CID 72870049

IUPAC3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)NC(COC)C(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-3-4-7-5-8(13-18-7)10(14)12-9(6-17-2)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUPGRHQYEMHXYAC-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.46
Rot. Bonds7

About 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 72870049) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID72870049
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)NC(COC)C(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-3-4-7-5-8(13-18-7)10(14)12-9(6-17-2)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUPGRHQYEMHXYAC-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
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
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
CID 155374949
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143460357
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 72870049) is 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is CCCc1cc(C(=O)NC(COC)C(=O)O)no1.
What is the InChIKey of 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is UPGRHQYEMHXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-4-7-5-8(13-18-7)10(14)12-9(6-17-2)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 72870049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).