4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid

C13H26N2O3 — CID 63028379

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCN1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)14-12(13(16)17)5-6-15-7-10(3)18-11(4)8-15/h9-12,14H,5-8H2,1-4H3,(H,16,17)
InChIKeySMTBWAJQIVJGOH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds6

About 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid

4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid (PubChem CID 63028379) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
PubChem CID63028379
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCN1CC(C)OC(C)C1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)14-12(13(16)17)5-6-15-7-10(3)18-11(4)8-15/h9-12,14H,5-8H2,1-4H3,(H,16,17)
InChIKeySMTBWAJQIVJGOH-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
CID 104960300
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propan-2-ylamino)propanoic acid
CID 66370778
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104960236
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid (CID 63028379) is 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid is CC(C)NC(CCN1CC(C)OC(C)C1)C(=O)O.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid?
The InChIKey is SMTBWAJQIVJGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)14-12(13(16)17)5-6-15-7-10(3)18-11(4)8-15/h9-12,14H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid?
4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).