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

C8H13N3O3 — CID 62637074

IUPAC2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
SMILESCc1nnc(CN(C)C(C)C(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)11(3)4-7-10-9-6(2)14-7/h5H,4H2,1-3H3,(H,12,13)
InChIKeyBTTPNFCJLWNSNI-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.28
Rot. Bonds4

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

2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid (PubChem CID 62637074) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
PubChem CID62637074
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
SMILESCc1nnc(CN(C)C(C)C(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)11(3)4-7-10-9-6(2)14-7/h5H,4H2,1-3H3,(H,12,13)
InChIKeyBTTPNFCJLWNSNI-UHFFFAOYSA-N
XLogP0.28
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
2-[methyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637991
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
CID 55097181
methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 60969554
3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butan-2-one
CID 15582700
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
(2S)-2-[3-(methoxymethyl)phenyl]-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 97193852
(2R)-N-cyclopentyl-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]butanamide
CID 124758228
2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82406292
(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 125156880

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid (CID 62637074) is 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid is Cc1nnc(CN(C)C(C)C(=O)O)o1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The InChIKey is BTTPNFCJLWNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(8(12)13)11(3)4-7-10-9-6(2)14-7/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 62637074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).