2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid

C8H15NO3 — CID 170368031

IUPAC2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
SMILESCN1CC[C@@H](CO)[C@H]1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-9-3-2-6(5-10)7(9)4-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyVNAUZJATVSLDPI-NKWVEPMBSA-N
MW173.21 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid

2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid (PubChem CID 170368031) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
PubChem CID170368031
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
SMILESCN1CC[C@@H](CO)[C@H]1CC(=O)O
InChIInChI=1S/C8H15NO3/c1-9-3-2-6(5-10)7(9)4-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyVNAUZJATVSLDPI-NKWVEPMBSA-N
XLogP-0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
CID 142403583
2-(1,3-dimethylimidazolidin-2-yl)acetic acid
CID 96634354
2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid
CID 96591939
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
CID 118622769
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-[(3R)-1,3-dimethylpyrrolidin-2-yl]acetamide
CID 121479469

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid (CID 170368031) is 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid is CN1CC[C@@H](CO)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid?
The InChIKey is VNAUZJATVSLDPI-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-3-2-6(5-10)7(9)4-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid?
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 170368031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).