N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide

C11H21NO3 — CID 79253075

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCCCO1
InChIInChI=1S/C11H21NO3/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyVMPMOSUUVAAWJZ-YHMJZVADSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide (PubChem CID 79253075) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
PubChem CID79253075
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCCCO1
InChIInChI=1S/C11H21NO3/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyVMPMOSUUVAAWJZ-YHMJZVADSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide (CID 79253075) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide is CC(C)[C@@H](CO)NC(=O)C1CCCCO1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide?
The InChIKey is VMPMOSUUVAAWJZ-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide is sourced from PubChem (CID 79253075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).