(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid

C13H22N2O6 — CID 115535493

IUPAC(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCOC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1
InChIKeyQFHKZZKXEXSRCA-HCCKASOXSA-N
MW302.33 g/mol
LogP0.07
Rot. Bonds5

About (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 115535493) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID115535493
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCOC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1
InChIKeyQFHKZZKXEXSRCA-HCCKASOXSA-N
XLogP0.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[(2-ethyl-1,4-oxazepane-4-carbonyl)amino]-3-methylbutanoic acid
CID 114218615
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122027734
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
methyl 2-[4-(2-carbamothioyl-3-methylbutanoyl)morpholin-2-yl]acetate
CID 115534739
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid (CID 115535493) is (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid is COC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1.
What is the InChIKey of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is QFHKZZKXEXSRCA-HCCKASOXSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 115535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).