ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide

C10H22N2O2 — CID 171516586

IUPACethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCC.CN1CCC(O)(C(=O)N(C)C)C1
InChIInChI=1S/C8H16N2O2.C2H6/c1-9(2)7(11)8(12)4-5-10(3)6-8;1-2/h12H,4-6H2,1-3H3;1-2H3
InChIKeyHDMHXTPURVUTKW-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.17
Rot. Bonds1

About ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide

ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide (PubChem CID 171516586) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Nameethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
PubChem CID171516586
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCC.CN1CCC(O)(C(=O)N(C)C)C1
InChIInChI=1S/C8H16N2O2.C2H6/c1-9(2)7(11)8(12)4-5-10(3)6-8;1-2/h12H,4-6H2,1-3H3;1-2H3
InChIKeyHDMHXTPURVUTKW-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012
3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 156736872
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124638982
3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 167773512
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
N,N,1,2,2-pentamethylcyclopropane-1-carboxamide
CID 22287124
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 126856917
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide?
The IUPAC name of ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide (CID 171516586) is ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide?
The canonical SMILES for ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide is CC.CN1CCC(O)(C(=O)N(C)C)C1.
What is the InChIKey of ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide?
The InChIKey is HDMHXTPURVUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-9(2)7(11)8(12)4-5-10(3)6-8;1-2/h12H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide?
ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide has a molecular weight of 202.30 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171516586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).