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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Related Compounds

methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953495
3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 60833823
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79275814
2-[(1,1-dioxothiolan-3-yl)-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 60840065
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78979130
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
2-[carboxymethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]acetic acid
CID 63646307
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetic acid
CID 61008533
N-cycloheptyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetamide
CID 91834613
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022255
2-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethyl]benzoic acid
CID 104548852

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).