(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide

C12H21NO3 — CID 103874332

IUPAC(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H21NO3/c1-13(9-12(15)6-2-3-7-12)11(14)10-5-4-8-16-10/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyVPCKZLVWHFDZOJ-JTQLQIEISA-N
MW227.30 g/mol
LogP0.93
Rot. Bonds3

About (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide

(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide (PubChem CID 103874332) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
PubChem CID103874332
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H21NO3/c1-13(9-12(15)6-2-3-7-12)11(14)10-5-4-8-16-10/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyVPCKZLVWHFDZOJ-JTQLQIEISA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 115760131
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
CID 171632983
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide (CID 103874332) is (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide is CN(CC1(O)CCCC1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is VPCKZLVWHFDZOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(9-12(15)6-2-3-7-12)11(14)10-5-4-8-16-10/h10,15H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide?
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 103874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).