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

C9H10N2O3 — CID 79274415

IUPAC2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ccno1
InChIInChI=1S/C9H10N2O3/c1-2-5-11(7-9(12)13)6-8-3-4-10-14-8/h1,3-4H,5-7H2,(H,12,13)
InChIKeySVNPDHCKFBIPJV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.19
Rot. Bonds5

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

2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid (PubChem CID 79274415) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid
PubChem CID79274415
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ccno1
InChIInChI=1S/C9H10N2O3/c1-2-5-11(7-9(12)13)6-8-3-4-10-14-8/h1,3-4H,5-7H2,(H,12,13)
InChIKeySVNPDHCKFBIPJV-UHFFFAOYSA-N
XLogP0.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
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(prop-2-ynyl)amino]acetic acid
CID 106421103
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-ynylamino]acetic acid
CID 79269993
2-[(3,5-difluorophenyl)methyl-prop-2-ynylamino]acetic acid
CID 105404684
2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
CID 79283098
2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
CID 79284539
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-ynylamino]acetic acid
CID 79284633
2-[(3,4-dihydroxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79284326
2-[(4-bromo-2-fluorophenyl)methyl-prop-2-ynylamino]acetic acid
CID 79283008
2-[(4-fluoro-2-methylphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79282964
2-[(3,5-dichlorophenyl)methyl-prop-2-ynylamino]acetic acid
CID 79283542
2-[(1-methylindazol-3-yl)methyl-prop-2-ynylamino]acetic acid
CID 79273409
2-[(4-methylsulfonylphenyl)methyl-prop-2-ynylamino]acetic acid
CID 114280111

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid (CID 79274415) is 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)Cc1ccno1.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is SVNPDHCKFBIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-5-11(7-9(12)13)6-8-3-4-10-14-8/h1,3-4H,5-7H2,(H,12,13).
What are the key properties of 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid?
2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 79274415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).