5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

C11H19NO3 — CID 62301014

IUPAC5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1CCN(CC2CCC(C(=O)O)O2)C1
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(6-8)7-9-2-3-10(15-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyDPJCVAQNPVOIFF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds3

About 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62301014) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62301014
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1CCN(CC2CCC(C(=O)O)O2)C1
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(6-8)7-9-2-3-10(15-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyDPJCVAQNPVOIFF-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
(2S,5R)-5-[(3,5-dimethylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178198064
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960
(2S,5R)-5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178190652
5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300814
5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
CID 62299244
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 63170529
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62298901
5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]oxolane-2-carboxylic acid
CID 81204835
(2R,5S)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 165455041
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 107227845

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (CID 62301014) is 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is CC1CCN(CC2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is DPJCVAQNPVOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-5-12(6-8)7-9-2-3-10(15-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62301014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).