2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid

C10H16N2O4 — CID 106373630

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCc1nc(C)c(C)o1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6-7(2)16-9(12-6)4-11-8(5-15-3)10(13)14/h8,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyJXNAPWLPNVDUAM-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.48
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid (PubChem CID 106373630) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
PubChem CID106373630
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCc1nc(C)c(C)o1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6-7(2)16-9(12-6)4-11-8(5-15-3)10(13)14/h8,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyJXNAPWLPNVDUAM-UHFFFAOYSA-N
XLogP0.48
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 106372677
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 103243312
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
CID 110836127
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid (CID 106373630) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid is COCC(NCc1nc(C)c(C)o1)C(=O)O.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid?
The InChIKey is JXNAPWLPNVDUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6-7(2)16-9(12-6)4-11-8(5-15-3)10(13)14/h8,11H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 106373630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).