(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride

C13H29Cl2N3O2 — CID 119827262

IUPAC(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyFLVFEMPPOSSASO-LTCKWSDVSA-N
MW330.30 g/mol
LogP1.04
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride (PubChem CID 119827262) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
PubChem CID119827262
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyFLVFEMPPOSSASO-LTCKWSDVSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride (CID 119827262) is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride?
The InChIKey is FLVFEMPPOSSASO-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride?
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119827262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).