(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

C7H12N4O2 — CID 106397147

IUPAC(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ncon1
InChIInChI=1S/C7H12N4O2/c1-2-5(8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12)/t5-/m0/s1
InChIKeyKLWCVQBAVPQZKI-YFKPBYRVSA-N
MW184.20 g/mol
LogP-0.58
Rot. Bonds4

About (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (PubChem CID 106397147) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
PubChem CID106397147
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ncon1
InChIInChI=1S/C7H12N4O2/c1-2-5(8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12)/t5-/m0/s1
InChIKeyKLWCVQBAVPQZKI-YFKPBYRVSA-N
XLogP-0.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106396967
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 106399276
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (CID 106397147) is (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is CC[C@H](N)C(=O)NCc1ncon1.
What is the InChIKey of (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The InChIKey is KLWCVQBAVPQZKI-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-5(8)7(12)9-3-6-10-4-13-11-6/h4-5H,2-3,8H2,1H3,(H,9,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide has a molecular weight of 184.20 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is sourced from PubChem (CID 106397147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).