3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid

C14H26N2O4 — CID 82326955

IUPAC3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)N1CCOCC1)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(13(18)19)9-16(14(2,3)4)10-12(17)15-5-7-20-8-6-15/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyDEVAJXUWUTUMPJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.67
Rot. Bonds5

About 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid

3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid (PubChem CID 82326955) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid
PubChem CID82326955
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)N1CCOCC1)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(13(18)19)9-16(14(2,3)4)10-12(17)15-5-7-20-8-6-15/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyDEVAJXUWUTUMPJ-UHFFFAOYSA-N
XLogP0.67
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-1-morpholin-4-ylethanone
CID 62007959
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid
CID 64915552
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 62853878
2-amino-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide;hydrochloride
CID 119290901
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 166717166

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid (CID 82326955) is 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid is CC(CN(CC(=O)N1CCOCC1)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid?
The InChIKey is DEVAJXUWUTUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(13(18)19)9-16(14(2,3)4)10-12(17)15-5-7-20-8-6-15/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid?
3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82326955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).