2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

C7H11N3O3 — CID 82406292

IUPAC2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(CC(CN)C(=O)O)o1
InChIInChI=1S/C7H11N3O3/c1-4-9-10-6(13-4)2-5(3-8)7(11)12/h5H,2-3,8H2,1H3,(H,11,12)
InChIKeyHTDNJZRGYACYDE-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.42
Rot. Bonds4

About 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82406292) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82406292
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(CC(CN)C(=O)O)o1
InChIInChI=1S/C7H11N3O3/c1-4-9-10-6(13-4)2-5(3-8)7(11)12/h5H,2-3,8H2,1H3,(H,11,12)
InChIKeyHTDNJZRGYACYDE-UHFFFAOYSA-N
XLogP-0.42
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butan-2-one
CID 15582700
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
2-(aminomethyl)-3-(5-methyl-2H-triazol-4-yl)propanoic acid
CID 82406730
2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid
CID 82412552
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
CID 43631645
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 66220356
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
CID 135389336

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82406292) is 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is Cc1nnc(CC(CN)C(=O)O)o1.
What is the InChIKey of 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is HTDNJZRGYACYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-9-10-6(13-4)2-5(3-8)7(11)12/h5H,2-3,8H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).