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

C9H13N3O5 — CID 55244602

IUPAC2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
SMILESCCc1nnc(CN(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C9H13N3O5/c1-2-6-10-11-7(17-6)3-12(4-8(13)14)5-9(15)16/h2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZXLNRZNTZPCSR-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.40
Rot. Bonds7

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

2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid (PubChem CID 55244602) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
PubChem CID55244602
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
SMILESCCc1nnc(CN(CC(=O)O)CC(=O)O)o1
InChIInChI=1S/C9H13N3O5/c1-2-6-10-11-7(17-6)3-12(4-8(13)14)5-9(15)16/h2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyMZXLNRZNTZPCSR-UHFFFAOYSA-N
XLogP-0.40
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid (CID 55244602) is 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid is CCc1nnc(CN(CC(=O)O)CC(=O)O)o1.
What is the InChIKey of 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid?
The InChIKey is MZXLNRZNTZPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-2-6-10-11-7(17-6)3-12(4-8(13)14)5-9(15)16/h2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid?
2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 55244602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).