(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid

C6H11NO4 — CID 139578433

IUPAC(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1[C@H](CO)C[C@@H]1CO
InChIInChI=1S/C6H11NO4/c8-2-4-1-5(3-9)7(4)6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+
InChIKeySZEHHGHEFKFDOJ-SYDPRGILSA-N
MW161.16 g/mol
LogP-0.91
Rot. Bonds2

About (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid

(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid (PubChem CID 139578433) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid
PubChem CID139578433
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1[C@H](CO)C[C@@H]1CO
InChIInChI=1S/C6H11NO4/c8-2-4-1-5(3-9)7(4)6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+
InChIKeySZEHHGHEFKFDOJ-SYDPRGILSA-N
XLogP-0.91
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138731797
(1S,4S,6S)-4-(hydroxymethyl)-1-(2-methylpropyl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 66770166
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
methyl 2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 175911487
4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994
(1R)-1-tert-butyl-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 67271341
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
3,6-diazabicyclo[3.1.1]heptane-6-carboxylic acid
CID 142316652
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
2-(cyanomethyl)-5-methylpyrrolidine-1-carboxylic acid
CID 67417759
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid (CID 139578433) is (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid is O=C(O)N1[C@H](CO)C[C@@H]1CO.
What is the InChIKey of (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid?
The InChIKey is SZEHHGHEFKFDOJ-SYDPRGILSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-4-1-5(3-9)7(4)6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+.
What are the key properties of (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid?
(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 139578433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).