2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

C10H12N4O4 — CID 79283999

IUPAC2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)Nc1nnc(C)o1
InChIInChI=1S/C10H12N4O4/c1-3-4-14(6-9(16)17)5-8(15)11-10-13-12-7(2)18-10/h1H,4-6H2,2H3,(H,16,17)(H,11,13,15)
InChIKeyIBWIYEJYBHNACX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.66
Rot. Bonds6

About 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (PubChem CID 79283999) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
PubChem CID79283999
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)Nc1nnc(C)o1
InChIInChI=1S/C10H12N4O4/c1-3-4-14(6-9(16)17)5-8(15)11-10-13-12-7(2)18-10/h1H,4-6H2,2H3,(H,16,17)(H,11,13,15)
InChIKeyIBWIYEJYBHNACX-UHFFFAOYSA-N
XLogP-0.66
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 107426070
2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637991
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 78964193
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 104554098
2-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-prop-2-ynylamino]acetic acid
CID 79284198
2-[[2-(3-methylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79284408
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79269757
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274703
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106616264
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617114
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
2-[[2-(4-nitroanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272672

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (CID 79283999) is 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(=O)Nc1nnc(C)o1.
What is the InChIKey of 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The InChIKey is IBWIYEJYBHNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-3-4-14(6-9(16)17)5-8(15)11-10-13-12-7(2)18-10/h1H,4-6H2,2H3,(H,16,17)(H,11,13,15).
What are the key properties of 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid has a molecular weight of 252.23 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79283999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).