(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide

C11H22N2O2 — CID 167134988

IUPAC(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(4)12-11(14)13-5-6-15-9(3)7-13/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyLNRKHHYSSDBSHI-VHSXEESVSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds2

About (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide

(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide (PubChem CID 167134988) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide
PubChem CID167134988
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(4)12-11(14)13-5-6-15-9(3)7-13/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyLNRKHHYSSDBSHI-VHSXEESVSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide (CID 167134988) is (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide is CC(C)[C@@H](C)NC(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The InChIKey is LNRKHHYSSDBSHI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(4)12-11(14)13-5-6-15-9(3)7-13/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide?
(2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 167134988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).