2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid

C11H19NO3 — CID 86324388

IUPAC2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCN(C[C@@H]2CCCO2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)6-9-3-4-12(7-9)8-10-2-1-5-15-10/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyMRCMOXJUFPTLTC-ZJUUUORDSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid

2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid (PubChem CID 86324388) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
PubChem CID86324388
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCN(C[C@@H]2CCCO2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)6-9-3-4-12(7-9)8-10-2-1-5-15-10/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyMRCMOXJUFPTLTC-ZJUUUORDSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
3-[methyl-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004318
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid (CID 86324388) is 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid is O=C(O)C[C@H]1CCN(C[C@@H]2CCCO2)C1.
What is the InChIKey of 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is MRCMOXJUFPTLTC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)6-9-3-4-12(7-9)8-10-2-1-5-15-10/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid?
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 86324388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).