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

C11H21ClN4O3 — CID 154901668

IUPAC(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
SMILESCC(C)c1nc(CCN(C)C(=O)[C@@H](N)CO)no1.Cl
InChIInChI=1S/C11H20N4O3.ClH/c1-7(2)10-13-9(14-18-10)4-5-15(3)11(17)8(12)6-16;/h7-8,16H,4-6,12H2,1-3H3;1H/t8-;/m0./s1
InChIKeyYGBDBNFTLRQHQR-QRPNPIFTSA-N
MW292.77 g/mol
LogP-0.06
Rot. Bonds6

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

(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride (PubChem CID 154901668) has the molecular formula C11H21ClN4O3 and a molecular weight of 292.77 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
PubChem CID154901668
Molecular FormulaC11H21ClN4O3
Molecular Weight292.77 g/mol
Exact Mass292.13
IUPAC Name(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
SMILESCC(C)c1nc(CCN(C)C(=O)[C@@H](N)CO)no1.Cl
InChIInChI=1S/C11H20N4O3.ClH/c1-7(2)10-13-9(14-18-10)4-5-15(3)11(17)8(12)6-16;/h7-8,16H,4-6,12H2,1-3H3;1H/t8-;/m0./s1
InChIKeyYGBDBNFTLRQHQR-QRPNPIFTSA-N
XLogP-0.06
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride (CID 154901668) is (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride is CC(C)c1nc(CCN(C)C(=O)[C@@H](N)CO)no1.Cl.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The InChIKey is YGBDBNFTLRQHQR-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H20N4O3.ClH/c1-7(2)10-13-9(14-18-10)4-5-15(3)11(17)8(12)6-16;/h7-8,16H,4-6,12H2,1-3H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 154901668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).