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

C12H21N3O3 — CID 60834394

IUPAC2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCCc1noc(CN(CC(=O)O)C(C)CC)n1
InChIInChI=1S/C12H21N3O3/c1-4-6-10-13-11(18-14-10)7-15(8-12(16)17)9(3)5-2/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeySFNVSHDYCOLJJQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.71
Rot. Bonds8

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

2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (PubChem CID 60834394) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
PubChem CID60834394
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCCc1noc(CN(CC(=O)O)C(C)CC)n1
InChIInChI=1S/C12H21N3O3/c1-4-6-10-13-11(18-14-10)7-15(8-12(16)17)9(3)5-2/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeySFNVSHDYCOLJJQ-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 60834385
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109
2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79276734
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
N-ethyl-N-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]ethanamine
CID 131919062
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (CID 60834394) is 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is CCCc1noc(CN(CC(=O)O)C(C)CC)n1.
What is the InChIKey of 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is SFNVSHDYCOLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-6-10-13-11(18-14-10)7-15(8-12(16)17)9(3)5-2/h9H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 60834394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).