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

C9H14N4O4 — CID 62637991

IUPAC2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1nnc(NC(=O)CN(C)C(C)C(=O)O)o1
InChIInChI=1S/C9H14N4O4/c1-5(8(15)16)13(3)4-7(14)10-9-12-11-6(2)17-9/h5H,4H2,1-3H3,(H,15,16)(H,10,12,14)
InChIKeyMKASVFZKSZRNRZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.28
Rot. Bonds5

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

2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 62637991) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID62637991
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1nnc(NC(=O)CN(C)C(C)C(=O)O)o1
InChIInChI=1S/C9H14N4O4/c1-5(8(15)16)13(3)4-7(14)10-9-12-11-6(2)17-9/h5H,4H2,1-3H3,(H,15,16)(H,10,12,14)
InChIKeyMKASVFZKSZRNRZ-UHFFFAOYSA-N
XLogP-0.28
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 104554098
2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 107426070
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 78964193
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283999
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
CID 94812590
2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913197
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631945
2-[methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119912479
2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119913466
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid (CID 62637991) is 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid is Cc1nnc(NC(=O)CN(C)C(C)C(=O)O)o1.
What is the InChIKey of 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is MKASVFZKSZRNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5(8(15)16)13(3)4-7(14)10-9-12-11-6(2)17-9/h5H,4H2,1-3H3,(H,15,16)(H,10,12,14).
What are the key properties of 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 62637991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).