2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid

C10H16N4O4 — CID 43442671

IUPAC2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)c1nnc(NC(=O)CN(C)CC(=O)O)o1
InChIInChI=1S/C10H16N4O4/c1-6(2)9-12-13-10(18-9)11-7(15)4-14(3)5-8(16)17/h6H,4-5H2,1-3H3,(H,16,17)(H,11,13,15)
InChIKeyIPUXLONUOCTVQZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.15
Rot. Bonds6

About 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid

2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid (PubChem CID 43442671) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
PubChem CID43442671
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)c1nnc(NC(=O)CN(C)CC(=O)O)o1
InChIInChI=1S/C10H16N4O4/c1-6(2)9-12-13-10(18-9)11-7(15)4-14(3)5-8(16)17/h6H,4-5H2,1-3H3,(H,16,17)(H,11,13,15)
InChIKeyIPUXLONUOCTVQZ-UHFFFAOYSA-N
XLogP0.15
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid (CID 43442671) is 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid is CC(C)c1nnc(NC(=O)CN(C)CC(=O)O)o1.
What is the InChIKey of 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The InChIKey is IPUXLONUOCTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6(2)9-12-13-10(18-9)11-7(15)4-14(3)5-8(16)17/h6H,4-5H2,1-3H3,(H,16,17)(H,11,13,15).
What are the key properties of 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 43442671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).