(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid

C5H9NO3 — CID 14654428

IUPAC(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CO)N1
InChIInChI=1S/C5H9NO3/c7-2-3-1-4(6-3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChIKeyZKORKMCEVCKOFV-IUYQGCFVSA-N
MW131.13 g/mol
LogP-1.21
Rot. Bonds2

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

(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid (PubChem CID 14654428) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid
PubChem CID14654428
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CO)N1
InChIInChI=1S/C5H9NO3/c7-2-3-1-4(6-3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChIKeyZKORKMCEVCKOFV-IUYQGCFVSA-N
XLogP-1.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid (CID 14654428) is (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](CO)N1.
What is the InChIKey of (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid?
The InChIKey is ZKORKMCEVCKOFV-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9NO3/c7-2-3-1-4(6-3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1.
What are the key properties of (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid?
(2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(hydroxymethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 14654428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).