N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide

C11H22N2O4 — CID 58378093

IUPACN-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(O)C[C@@H](CO)NC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O4/c1-11(2,16)7-9(8-14)12-10(15)13-3-5-17-6-4-13/h9,14,16H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyMAEOXWBZFFTSTK-VIFPVBQESA-N
MW246.31 g/mol
LogP-0.45
Rot. Bonds4

About N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide (PubChem CID 58378093) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide
PubChem CID58378093
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(O)C[C@@H](CO)NC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O4/c1-11(2,16)7-9(8-14)12-10(15)13-3-5-17-6-4-13/h9,14,16H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyMAEOXWBZFFTSTK-VIFPVBQESA-N
XLogP-0.45
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dihydroxy-4-methylpentan-2-yl)morpholine-4-carboxamide
CID 67359401
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 111444624
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
CID 107473765
3,3-dimethyl-2-(1,4-oxazepane-4-carbonylamino)butanoic acid
CID 62967808
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide (CID 58378093) is N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide is CC(C)(O)C[C@@H](CO)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The InChIKey is MAEOXWBZFFTSTK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,16)7-9(8-14)12-10(15)13-3-5-17-6-4-13/h9,14,16H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,4-dihydroxy-4-methylpentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58378093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).