2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid

C10H11N3O4 — CID 106421103

IUPAC2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NCc1ccno1
InChIInChI=1S/C10H11N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h1,3-4H,5-7H2,(H,11,16)(H,14,15)
InChIKeyBXYQBHSIEJHMLS-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.10
Rot. Bonds5

About 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid

2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid (PubChem CID 106421103) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
PubChem CID106421103
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NCc1ccno1
InChIInChI=1S/C10H11N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h1,3-4H,5-7H2,(H,11,16)(H,14,15)
InChIKeyBXYQBHSIEJHMLS-UHFFFAOYSA-N
XLogP-0.10
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 106421256
2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid
CID 79274415
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 106421064
2-[(2-methylpyrimidin-4-yl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79282923
2-[(3-fluorophenyl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79283241
2-[prop-2-ynyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79282955
2-[1H-imidazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79287610
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
2-[(2-methoxyphenyl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284197
2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284295
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
3-[[4-[[bis(prop-2-ynyl)carbamoylamino]methyl]phenyl]methyl]-1,1-bis(prop-2-ynyl)urea
CID 129036255

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid (CID 106421103) is 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)C(=O)NCc1ccno1.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is BXYQBHSIEJHMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h1,3-4H,5-7H2,(H,11,16)(H,14,15).
What are the key properties of 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid?
2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 237.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 106421103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).