2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid

C9H15N3O3 — CID 43631645

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1nnc(C)o1)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-4-7(9(13)14)10-5-8-12-11-6(2)15-8/h7,10H,3-5H2,1-2H3,(H,13,14)
InChIKeyJOLLHLQEUCPVHJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.72
Rot. Bonds6

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid (PubChem CID 43631645) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
PubChem CID43631645
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1nnc(C)o1)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-4-7(9(13)14)10-5-8-12-11-6(2)15-8/h7,10H,3-5H2,1-2H3,(H,13,14)
InChIKeyJOLLHLQEUCPVHJ-UHFFFAOYSA-N
XLogP0.72
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
CID 43631812
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine
CID 103605015
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
5-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hexan-2-amine
CID 103604912
2-[(2,3,4,5,6-pentafluorophenyl)methylamino]pentanoic acid
CID 43631833
2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid
CID 43631586
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
2-[(3,4-dimethylphenyl)methylamino]pentanoic acid
CID 54977543

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid (CID 43631645) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid is CCCC(NCc1nnc(C)o1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid?
The InChIKey is JOLLHLQEUCPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-7(9(13)14)10-5-8-12-11-6(2)15-8/h7,10H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).