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

C11H19N5O4 — CID 107426070

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCc1nnc(NC(=O)CN(CCN(C)C)CC(=O)O)o1
InChIInChI=1S/C11H19N5O4/c1-8-13-14-11(20-8)12-9(17)6-16(7-10(18)19)5-4-15(2)3/h4-7H2,1-3H3,(H,18,19)(H,12,14,17)
InChIKeyMQKMOHPMJQBVNV-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.74
Rot. Bonds8

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

2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 107426070) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID107426070
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCc1nnc(NC(=O)CN(CCN(C)C)CC(=O)O)o1
InChIInChI=1S/C11H19N5O4/c1-8-13-14-11(20-8)12-9(17)6-16(7-10(18)19)5-4-15(2)3/h4-7H2,1-3H3,(H,18,19)(H,12,14,17)
InChIKeyMQKMOHPMJQBVNV-UHFFFAOYSA-N
XLogP-0.74
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 107426070) is 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is Cc1nnc(NC(=O)CN(CCN(C)C)CC(=O)O)o1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is MQKMOHPMJQBVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4/c1-8-13-14-11(20-8)12-9(17)6-16(7-10(18)19)5-4-15(2)3/h4-7H2,1-3H3,(H,18,19)(H,12,14,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107426070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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