2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid

C7H10N2O3 — CID 106372016

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESCc1cnc(CNCC(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeyQQAWUFQOMPIIPX-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.16
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid (PubChem CID 106372016) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
PubChem CID106372016
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESCc1cnc(CNCC(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeyQQAWUFQOMPIIPX-UHFFFAOYSA-N
XLogP0.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
(Z)-2-ethyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]but-2-enoic acid
CID 106373547
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid (CID 106372016) is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid is Cc1cnc(CNCC(=O)O)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The InChIKey is QQAWUFQOMPIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-2-9-6(12-5)3-8-4-7(10)11/h2,8H,3-4H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid has a molecular weight of 170.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid is sourced from PubChem (CID 106372016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).