(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride

C11H21ClN4O3 — CID 154903448

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOc1nonc1C.Cl
InChIInChI=1S/C11H20N4O3.ClH/c1-4-7(2)9(12)10(16)13-5-6-17-11-8(3)14-18-15-11;/h7,9H,4-6,12H2,1-3H3,(H,13,16);1H/t7-,9-;/m0./s1
InChIKeyKOPDIBWIDYJCCJ-KUSKTZOESA-N
MW292.77 g/mol
LogP0.67
Rot. Bonds7

About (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride

(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride (PubChem CID 154903448) has the molecular formula C11H21ClN4O3 and a molecular weight of 292.77 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride
PubChem CID154903448
Molecular FormulaC11H21ClN4O3
Molecular Weight292.77 g/mol
Exact Mass292.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOc1nonc1C.Cl
InChIInChI=1S/C11H20N4O3.ClH/c1-4-7(2)9(12)10(16)13-5-6-17-11-8(3)14-18-15-11;/h7,9H,4-6,12H2,1-3H3,(H,13,16);1H/t7-,9-;/m0./s1
InChIKeyKOPDIBWIDYJCCJ-KUSKTZOESA-N
XLogP0.67
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride (CID 154903448) is (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)NCCOc1nonc1C.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride?
The InChIKey is KOPDIBWIDYJCCJ-KUSKTZOESA-N. The full InChI is InChI=1S/C11H20N4O3.ClH/c1-4-7(2)9(12)10(16)13-5-6-17-11-8(3)14-18-15-11;/h7,9H,4-6,12H2,1-3H3,(H,13,16);1H/t7-,9-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride?
(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 154903448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).