(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide

C14H26N2O3 — CID 129325921

IUPAC(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C14H26N2O3/c1-10(2)13-11(4-6-19-13)8-15-14(17)12-9-16(3)5-7-18-12/h10-13H,4-9H2,1-3H3,(H,15,17)/t11-,12+,13-/m1/s1
InChIKeyDVLKEECIQHMNNA-FRRDWIJNSA-N
MW270.37 g/mol
LogP0.49
Rot. Bonds4

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

(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 129325921) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
PubChem CID129325921
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C14H26N2O3/c1-10(2)13-11(4-6-19-13)8-15-14(17)12-9-16(3)5-7-18-12/h10-13H,4-9H2,1-3H3,(H,15,17)/t11-,12+,13-/m1/s1
InChIKeyDVLKEECIQHMNNA-FRRDWIJNSA-N
XLogP0.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide (CID 129325921) is (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide is CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1.
What is the InChIKey of (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is DVLKEECIQHMNNA-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)13-11(4-6-19-13)8-15-14(17)12-9-16(3)5-7-18-12/h10-13H,4-9H2,1-3H3,(H,15,17)/t11-,12+,13-/m1/s1.
What are the key properties of (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide?
(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 129325921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).