2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide

C12H24N4O3 — CID 61250157

IUPAC2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
SMILESCC(C)(CNC(=O)C(N)CC(N)=O)N1CCOCC1
InChIInChI=1S/C12H24N4O3/c1-12(2,16-3-5-19-6-4-16)8-15-11(18)9(13)7-10(14)17/h9H,3-8,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyXYQYZJIQDXKGGD-UHFFFAOYSA-N
MW272.35 g/mol
LogP-1.58
Rot. Bonds6

About 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide

2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide (PubChem CID 61250157) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
PubChem CID61250157
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
SMILESCC(C)(CNC(=O)C(N)CC(N)=O)N1CCOCC1
InChIInChI=1S/C12H24N4O3/c1-12(2,16-3-5-19-6-4-16)8-15-11(18)9(13)7-10(14)17/h9H,3-8,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyXYQYZJIQDXKGGD-UHFFFAOYSA-N
XLogP-1.58
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 107471820
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
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
2-methyl-N-[2-[[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111314282
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
CID 119957860
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 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide?
The IUPAC name of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide (CID 61250157) is 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide is CC(C)(CNC(=O)C(N)CC(N)=O)N1CCOCC1.
What is the InChIKey of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide?
The InChIKey is XYQYZJIQDXKGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-12(2,16-3-5-19-6-4-16)8-15-11(18)9(13)7-10(14)17/h9H,3-8,13H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide?
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide has a molecular weight of 272.35 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide is sourced from PubChem (CID 61250157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).