(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride

C13H28Cl2N4O3 — CID 119863888

IUPAC(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H26N4O3.2ClH/c1-10(2)12(14)13(19)16-9-11(18)15-3-4-17-5-7-20-8-6-17;;/h10,12H,3-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H/t12-;;/m0../s1
InChIKeyFAKWYVXNEQOGOZ-LTCKWSDVSA-N
MW359.30 g/mol
LogP-0.62
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride

(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride (PubChem CID 119863888) has the molecular formula C13H28Cl2N4O3 and a molecular weight of 359.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
PubChem CID119863888
Molecular FormulaC13H28Cl2N4O3
Molecular Weight359.30 g/mol
Exact Mass358.15
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H26N4O3.2ClH/c1-10(2)12(14)13(19)16-9-11(18)15-3-4-17-5-7-20-8-6-17;;/h10,12H,3-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H/t12-;;/m0../s1
InChIKeyFAKWYVXNEQOGOZ-LTCKWSDVSA-N
XLogP-0.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 25171579
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride
CID 119277757
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride (CID 119863888) is (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride is CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride?
The InChIKey is FAKWYVXNEQOGOZ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H26N4O3.2ClH/c1-10(2)12(14)13(19)16-9-11(18)15-3-4-17-5-7-20-8-6-17;;/h10,12H,3-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride?
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119863888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).