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

C14H25N3O3 — CID 97239688

IUPAC2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
SMILESCC[C@H](C)N(CC(=O)O)Cc1nc(CCC(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-5-11(4)17(9-14(18)19)8-13-15-12(16-20-13)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyHODGYRMUPXGPJS-NSHDSACASA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds9

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

2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid (PubChem CID 97239688) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
PubChem CID97239688
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
SMILESCC[C@H](C)N(CC(=O)O)Cc1nc(CCC(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-5-11(4)17(9-14(18)19)8-13-15-12(16-20-13)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyHODGYRMUPXGPJS-NSHDSACASA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(2-Ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075884
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 51076138
3-Ethyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53518545
(1S)-N-(cyclohexylmethyl)-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 39998277
3-Ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45805657
2-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]ethanol
CID 45817056
3-Methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 51076072
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
CID 53523972
Methyl 2-[propyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 53544370
N~1~-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56877959
3-Propan-2-yl-5-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53515055
3-Propyl-5-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53515136

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid (CID 97239688) is 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid is CC[C@H](C)N(CC(=O)O)Cc1nc(CCC(C)C)no1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The InChIKey is HODGYRMUPXGPJS-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-11(4)17(9-14(18)19)8-13-15-12(16-20-13)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid is sourced from PubChem (CID 97239688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).