2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid

C10H14N4O4 — CID 43442613

IUPAC2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H14N4O4/c1-14(5-8(16)17)4-7(15)11-10-13-12-9(18-10)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)(H,11,13,15)
InChIKeyJPIPGXAYDDRVLH-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.10
Rot. Bonds6

About 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442613) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442613
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H14N4O4/c1-14(5-8(16)17)4-7(15)11-10-13-12-9(18-10)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)(H,11,13,15)
InChIKeyJPIPGXAYDDRVLH-UHFFFAOYSA-N
XLogP-0.10
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442613) is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is JPIPGXAYDDRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14(5-8(16)17)4-7(15)11-10-13-12-9(18-10)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)(H,11,13,15).
What are the key properties of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).