2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid

C12H14N2O4 — CID 79264559

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H14N2O4/c1-2-5-14(7-11(15)16)12(17)9-6-10(18-13-9)8-3-4-8/h2,6,8H,1,3-5,7H2,(H,15,16)
InChIKeyFYNBNOJPDICWHX-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.26
Rot. Bonds6

About 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79264559) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79264559
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H14N2O4/c1-2-5-14(7-11(15)16)12(17)9-6-10(18-13-9)8-3-4-8/h2,6,8H,1,3-5,7H2,(H,15,16)
InChIKeyFYNBNOJPDICWHX-UHFFFAOYSA-N
XLogP1.26
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid (CID 79264559) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is FYNBNOJPDICWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-5-14(7-11(15)16)12(17)9-6-10(18-13-9)8-3-4-8/h2,6,8H,1,3-5,7H2,(H,15,16).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).