(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid

C5H9NO4 — CID 71575304

IUPAC(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1N[C@@H](CO)[C@@H]1O
InChIInChI=1S/C5H9NO4/c7-1-2-4(8)3(6-2)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1
InChIKeyWRZIVVFLBAZWHM-HZLVTQRSSA-N
MW147.13 g/mol
LogP-2.24
Rot. Bonds2

About (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid

(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid (PubChem CID 71575304) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid
PubChem CID71575304
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1N[C@@H](CO)[C@@H]1O
InChIInChI=1S/C5H9NO4/c7-1-2-4(8)3(6-2)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1
InChIKeyWRZIVVFLBAZWHM-HZLVTQRSSA-N
XLogP-2.24
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid (CID 71575304) is (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid is O=C(O)[C@H]1N[C@@H](CO)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The InChIKey is WRZIVVFLBAZWHM-HZLVTQRSSA-N. The full InChI is InChI=1S/C5H9NO4/c7-1-2-4(8)3(6-2)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1.
What are the key properties of (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid?
(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid has a molecular weight of 147.13 g/mol, XLogP of -2.24, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 71575304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).