2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid

C9H12N2O3 — CID 79276600

IUPAC2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1cnoc1
InChIInChI=1S/C9H12N2O3/c1-2-3-11(6-9(12)13)5-8-4-10-14-7-8/h2,4,7H,1,3,5-6H2,(H,12,13)
InChIKeyNOUWVWFPBJTABO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.75
Rot. Bonds6

About 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid

2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid (PubChem CID 79276600) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
PubChem CID79276600
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1cnoc1
InChIInChI=1S/C9H12N2O3/c1-2-3-11(6-9(12)13)5-8-4-10-14-7-8/h2,4,7H,1,3,5-6H2,(H,12,13)
InChIKeyNOUWVWFPBJTABO-UHFFFAOYSA-N
XLogP0.75
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 63644452
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
2-[(3-methylimidazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276878
2-[(1-phenylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276875
2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 79277413
2-[(1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79277151
2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid
CID 166291479
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-prop-2-enylamino]acetic acid
CID 79277271
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276984
2-[(5-chloro-1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276224
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79275814
2-[(1,1-dioxothiolan-3-yl)-(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 60873465

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid (CID 79276600) is 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)Cc1cnoc1.
What is the InChIKey of 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is NOUWVWFPBJTABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-3-11(6-9(12)13)5-8-4-10-14-7-8/h2,4,7H,1,3,5-6H2,(H,12,13).
What are the key properties of 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid?
2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79276600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).