3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid

C8H12N2O4 — CID 103259741

IUPAC3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
SMILESCOCC(NCc1ccon1)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-13-5-7(8(11)12)9-4-6-2-3-14-10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12)
InChIKeyJDFJIOUOARHNPZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.14
Rot. Bonds6

About 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid

3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid (PubChem CID 103259741) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
PubChem CID103259741
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
SMILESCOCC(NCc1ccon1)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-13-5-7(8(11)12)9-4-6-2-3-14-10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12)
InChIKeyJDFJIOUOARHNPZ-UHFFFAOYSA-N
XLogP-0.14
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 103243312
2-[[4-(hydroxymethyl)phenyl]methylamino]-3-methoxypropanoic acid
CID 107232541
3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 106113222
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 71866136
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid (CID 103259741) is 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid is COCC(NCc1ccon1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid?
The InChIKey is JDFJIOUOARHNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-13-5-7(8(11)12)9-4-6-2-3-14-10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid?
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 103259741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).