2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride

C12H24ClN3O3 — CID 119277757

IUPAC2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCC(=O)N1CCOCC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-9(2)11(13)12(17)14-4-3-10(16)15-5-7-18-8-6-15;/h9,11H,3-8,13H2,1-2H3,(H,14,17);1H
InChIKeyGWPYXUNQPNFODZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP-0.24
Rot. Bonds5

About 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride

2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride (PubChem CID 119277757) has the molecular formula C12H24ClN3O3 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride
PubChem CID119277757
Molecular FormulaC12H24ClN3O3
Molecular Weight293.80 g/mol
Exact Mass293.15
IUPAC Name2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCC(=O)N1CCOCC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-9(2)11(13)12(17)14-4-3-10(16)15-5-7-18-8-6-15;/h9,11H,3-8,13H2,1-2H3,(H,14,17);1H
InChIKeyGWPYXUNQPNFODZ-UHFFFAOYSA-N
XLogP-0.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
CID 57484828
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride (CID 119277757) is 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride is CC(C)C(N)C(=O)NCCC(=O)N1CCOCC1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride?
The InChIKey is GWPYXUNQPNFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.ClH/c1-9(2)11(13)12(17)14-4-3-10(16)15-5-7-18-8-6-15;/h9,11H,3-8,13H2,1-2H3,(H,14,17);1H.
What are the key properties of 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride?
2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride is sourced from PubChem (CID 119277757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).