2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid

C13H24N2O4 — CID 66429397

IUPAC2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)CC1CNCCO1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-12(2,11(17)18)13(3,4)15-10(16)7-9-8-14-5-6-19-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXBIPHMXKGZOMHD-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.37
Rot. Bonds5

About 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid

2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid (PubChem CID 66429397) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid
PubChem CID66429397
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)CC1CNCCO1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-12(2,11(17)18)13(3,4)15-10(16)7-9-8-14-5-6-19-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXBIPHMXKGZOMHD-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
N-(2-cyclopropylpropan-2-yl)-2-morpholin-2-ylacetamide
CID 103809623
(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66429146
2-morpholin-2-ylacetohydrazide
CID 66428542
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
N-ethylsulfonyl-2-morpholin-2-ylacetamide
CID 103306746
N-(2-cyclobutyl-2-methylpropyl)-2-morpholin-2-ylacetamide
CID 115178244
N-(2,2-dimethylcyclopropyl)-2-morpholin-2-ylacetamide
CID 66427680
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 106247651
N-(2-cyclopropylethyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119790422
1-morpholin-2-ylbutan-2-one
CID 116586154
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119691463

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid (CID 66429397) is 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid is CC(C)(NC(=O)CC1CNCCO1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The InChIKey is XBIPHMXKGZOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,11(17)18)13(3,4)15-10(16)7-9-8-14-5-6-19-9/h9,14H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 66429397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).