(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride

C13H22Cl2N4O2 — CID 119839706

IUPAC(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-2-11(14)13(18)16-10-3-4-12(15-9-10)17-5-7-19-8-6-17;;/h3-4,9,11H,2,5-8,14H2,1H3,(H,16,18);2*1H/t11-;;/m0../s1
InChIKeyFDIUVHLCCGNPJP-IDMXKUIJSA-N
MW337.25 g/mol
LogP1.44
Rot. Bonds4

About (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride

(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride (PubChem CID 119839706) has the molecular formula C13H22Cl2N4O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
PubChem CID119839706
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC Name(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-2-11(14)13(18)16-10-3-4-12(15-9-10)17-5-7-19-8-6-17;;/h3-4,9,11H,2,5-8,14H2,1H3,(H,16,18);2*1H/t11-;;/m0../s1
InChIKeyFDIUVHLCCGNPJP-IDMXKUIJSA-N
XLogP1.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 65224657
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride (CID 119839706) is (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride is CC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride?
The InChIKey is FDIUVHLCCGNPJP-IDMXKUIJSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c1-2-11(14)13(18)16-10-3-4-12(15-9-10)17-5-7-19-8-6-17;;/h3-4,9,11H,2,5-8,14H2,1H3,(H,16,18);2*1H/t11-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride?
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 1.44, 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-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride is sourced from PubChem (CID 119839706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).