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

C10H19NO3 — CID 170368030

IUPAC2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid
SMILESCC(C)N1CC[C@@H](CO)[C@H]1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)11-4-3-8(6-12)9(11)5-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyGTEHLHXQXSQYLO-DTWKUNHWSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

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

2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid (PubChem CID 170368030) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid
PubChem CID170368030
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid
SMILESCC(C)N1CC[C@@H](CO)[C@H]1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)11-4-3-8(6-12)9(11)5-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyGTEHLHXQXSQYLO-DTWKUNHWSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid (CID 170368030) is 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid is CC(C)N1CC[C@@H](CO)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
The InChIKey is GTEHLHXQXSQYLO-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)11-4-3-8(6-12)9(11)5-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of 2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid?
2-[(2R,3R)-3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 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-propan-2-ylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 170368030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).