2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid

C6H11NO3 — CID 66585003

IUPAC2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO3/c8-5-1-4(7-3-5)2-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChIKeyHEUWVFJLYQNYMK-UHNVWZDZSA-N
MW145.16 g/mol
LogP-0.82
Rot. Bonds2

About 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid

2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid (PubChem CID 66585003) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid
PubChem CID66585003
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO3/c8-5-1-4(7-3-5)2-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChIKeyHEUWVFJLYQNYMK-UHNVWZDZSA-N
XLogP-0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid (CID 66585003) is 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid is O=C(O)C[C@H]1C[C@H](O)CN1.
What is the InChIKey of 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid?
The InChIKey is HEUWVFJLYQNYMK-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-1-4(7-3-5)2-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid?
2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 66585003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).