(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride

C11H21ClN4O2 — CID 119342865

IUPAC(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-6(12)8(16)13-7(2)9-14-10(15-17-9)11(3,4)5;/h6-7H,12H2,1-5H3,(H,13,16);1H/t6-,7?;/m1./s1
InChIKeyVOSYVOUTIXYWSA-JVEOKNEYSA-N
MW276.77 g/mol
LogP1.31
Rot. Bonds3

About (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride (PubChem CID 119342865) has the molecular formula C11H21ClN4O2 and a molecular weight of 276.77 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
PubChem CID119342865
Molecular FormulaC11H21ClN4O2
Molecular Weight276.77 g/mol
Exact Mass276.14
IUPAC Name(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-6(12)8(16)13-7(2)9-14-10(15-17-9)11(3,4)5;/h6-7H,12H2,1-5H3,(H,13,16);1H/t6-,7?;/m1./s1
InChIKeyVOSYVOUTIXYWSA-JVEOKNEYSA-N
XLogP1.31
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119342858
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817329
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 119817308
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120638330
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124849754
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119817309
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136715375
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506824
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509178

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride (CID 119342865) is (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The InChIKey is VOSYVOUTIXYWSA-JVEOKNEYSA-N. The full InChI is InChI=1S/C11H20N4O2.ClH/c1-6(12)8(16)13-7(2)9-14-10(15-17-9)11(3,4)5;/h6-7H,12H2,1-5H3,(H,13,16);1H/t6-,7?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119342865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).