2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid

C7H10N2O3 — CID 43442241

IUPAC2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1ccno1
InChIInChI=1S/C7H10N2O3/c1-9(5-7(10)11)4-6-2-3-8-12-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyRHPSPTHWRURCMO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.19
Rot. Bonds4

About 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid

2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid (PubChem CID 43442241) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid
PubChem CID43442241
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1ccno1
InChIInChI=1S/C7H10N2O3/c1-9(5-7(10)11)4-6-2-3-8-12-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyRHPSPTHWRURCMO-UHFFFAOYSA-N
XLogP0.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227079
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442
3,3,3-Trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
2-[1,2-Oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 106421099
2-[2,2-Difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol
CID 107485264
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130616625
2,2-Difluoro-3-{[(1,2-oxazol-5-yl)methyl]amino}propanoic acid
CID 165789206
5-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 167828536

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid (CID 43442241) is 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid is CN(CC(=O)O)Cc1ccno1.
What is the InChIKey of 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid?
The InChIKey is RHPSPTHWRURCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9(5-7(10)11)4-6-2-3-8-12-6/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid?
2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid has a molecular weight of 170.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid is sourced from PubChem (CID 43442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).