(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid

C13H24N2O4 — CID 113353177

IUPAC(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC1(C)CN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCO1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)9(10(16)17)14-11(18)15-6-7-19-13(4,5)8-15/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-/m0/s1
InChIKeyFZRRCSKEPYWZMN-VIFPVBQESA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds2

About (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 113353177) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID113353177
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC1(C)CN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCO1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)9(10(16)17)14-11(18)15-6-7-19-13(4,5)8-15/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-/m0/s1
InChIKeyFZRRCSKEPYWZMN-VIFPVBQESA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61202575
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61202209
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 62931543
3,3-dimethyl-2-(1,4-oxazepane-4-carbonylamino)butanoic acid
CID 62967808
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61202204
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 61153898
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 113353177) is (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid is CC1(C)CN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCO1.
What is the InChIKey of (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is FZRRCSKEPYWZMN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)9(10(16)17)14-11(18)15-6-7-19-13(4,5)8-15/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-/m0/s1.
What are the key properties of (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).