(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride

C12H27Cl2N3O2 — CID 119830220

IUPAC(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(C)(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-4-10(13)11(16)14-9-12(2,3)15-5-7-17-8-6-15;;/h10H,4-9,13H2,1-3H3,(H,14,16);2*1H/t10-;;/m0../s1
InChIKeyGSULNDZUGYCUAP-XRIOVQLTSA-N
MW316.27 g/mol
LogP0.79
Rot. Bonds5

About (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride

(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride (PubChem CID 119830220) has the molecular formula C12H27Cl2N3O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
PubChem CID119830220
Molecular FormulaC12H27Cl2N3O2
Molecular Weight316.27 g/mol
Exact Mass315.15
IUPAC Name(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(C)(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-4-10(13)11(16)14-9-12(2,3)15-5-7-17-8-6-15;;/h10H,4-9,13H2,1-3H3,(H,14,16);2*1H/t10-;;/m0../s1
InChIKeyGSULNDZUGYCUAP-XRIOVQLTSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 107471820
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
CID 119957860
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride (CID 119830220) is (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride is CC[C@H](N)C(=O)NCC(C)(C)N1CCOCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The InChIKey is GSULNDZUGYCUAP-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H25N3O2.2ClH/c1-4-10(13)11(16)14-9-12(2,3)15-5-7-17-8-6-15;;/h10H,4-9,13H2,1-3H3,(H,14,16);2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride is sourced from PubChem (CID 119830220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).