4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid

C12H21NO4 — CID 66237204

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(CC1(O)CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-13(8-12(16)4-2-3-5-12)10-7-17-6-9(10)11(14)15/h9-10,16H,2-8H2,1H3,(H,14,15)
InChIKeyBTHWBUBGPILHBS-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.32
Rot. Bonds4

About 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66237204) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66237204
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(CC1(O)CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-13(8-12(16)4-2-3-5-12)10-7-17-6-9(10)11(14)15/h9-10,16H,2-8H2,1H3,(H,14,15)
InChIKeyBTHWBUBGPILHBS-UHFFFAOYSA-N
XLogP0.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
1-[[methyl(oxetan-3-yl)amino]methyl]cyclopentan-1-ol
CID 131153818
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid (CID 66237204) is 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid is CN(CC1(O)CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is BTHWBUBGPILHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(8-12(16)4-2-3-5-12)10-7-17-6-9(10)11(14)15/h9-10,16H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).