4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide

C12H24N2O3 — CID 140671740

IUPAC4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCC(C)C[C@@H](CO)N1CC(C)OC(C(N)=O)C1
InChIInChI=1S/C12H24N2O3/c1-8(2)4-10(7-15)14-5-9(3)17-11(6-14)12(13)16/h8-11,15H,4-7H2,1-3H3,(H2,13,16)/t9?,10-,11?/m0/s1
InChIKeyKKZHIZODCDULIP-YVNMAJEFSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds5

About 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide

4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide (PubChem CID 140671740) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide
PubChem CID140671740
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCC(C)C[C@@H](CO)N1CC(C)OC(C(N)=O)C1
InChIInChI=1S/C12H24N2O3/c1-8(2)4-10(7-15)14-5-9(3)17-11(6-14)12(13)16/h8-11,15H,4-7H2,1-3H3,(H2,13,16)/t9?,10-,11?/m0/s1
InChIKeyKKZHIZODCDULIP-YVNMAJEFSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide (CID 140671740) is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide is CC(C)C[C@@H](CO)N1CC(C)OC(C(N)=O)C1.
What is the InChIKey of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide?
The InChIKey is KKZHIZODCDULIP-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)4-10(7-15)14-5-9(3)17-11(6-14)12(13)16/h8-11,15H,4-7H2,1-3H3,(H2,13,16)/t9?,10-,11?/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide?
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 140671740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).