2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate

C6H11NO3 — CID 40630429

IUPAC2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate
SMILESO=C([O-])C[C@@H]1C[C@@H](O)C[NH2+]1
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+/m0/s1
InChIKeyHEUWVFJLYQNYMK-CRCLSJGQSA-N
MW145.16 g/mol
LogP-3.18
Rot. Bonds2

About 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate

2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate (PubChem CID 40630429) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate
PubChem CID40630429
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate
SMILESO=C([O-])C[C@@H]1C[C@@H](O)C[NH2+]1
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+/m0/s1
InChIKeyHEUWVFJLYQNYMK-CRCLSJGQSA-N
XLogP-3.18
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 118727495
(2S)-2-hydroxy-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 118727496
Ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate Hydrochloride
CID 11469867
2-(4-Hydroxypyrrolidin-2-yl)acetic acid
CID 3449975
(3-Hydroxypyrrolidin-2-yl)acetic acid
CID 55286570
2-[3-Fluoro-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid
CID 123579712
2-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetic acid
CID 12113511
cis-3-Hydroxypyrrolidine-2-acetic acid
CID 60146124
methyl 2-[(2R,4S)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride
CID 177798383
2-Hydroxy-2-(pyrrolidin-2-yl)acetic acid
CID 10725471
2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetic acid
CID 10844510
(2R)-2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetic acid
CID 15660872

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate?
The IUPAC name of 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate (CID 40630429) is 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate.
What is the SMILES notation for 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate?
The canonical SMILES for 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate is O=C([O-])C[C@@H]1C[C@@H](O)C[NH2+]1.
What is the InChIKey of 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate?
The InChIKey is HEUWVFJLYQNYMK-CRCLSJGQSA-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+/m0/s1.
What are the key properties of 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate?
2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate has a molecular weight of 145.16 g/mol, XLogP of -3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]acetate is sourced from PubChem (CID 40630429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).