3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 155822168

IUPAC3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CO)CNC1
InChIInChI=1S/C5H9NO3.ClH/c7-3-5(4(8)9)1-6-2-5;/h6-7H,1-3H2,(H,8,9);1H
InChIKeyGTDGNBHPWAHHPV-UHFFFAOYSA-N
MW167.59 g/mol
LogP-0.93
Rot. Bonds2

About 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride

3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride (PubChem CID 155822168) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride
PubChem CID155822168
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CO)CNC1
InChIInChI=1S/C5H9NO3.ClH/c7-3-5(4(8)9)1-6-2-5;/h6-7H,1-3H2,(H,8,9);1H
InChIKeyGTDGNBHPWAHHPV-UHFFFAOYSA-N
XLogP-0.93
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylazetidine-3-carboxylic acid hydrochloride
CID 118989463
Methyl 3-(hydroxymethyl)azetidine-3-carboxylate hydrochloride
CID 145867231
3-(Hydroxymethyl)azetidine-3-carboxylic acid
CID 70410357
Methyl 3-(hydroxymethyl)azetidine-3-carboxylate
CID 129981538
Azetidine-3,3-dicarboxylic acid
CID 20029137
2-Hydroxyazetidine-3-carboxylic acid
CID 126600821
Methyl 2-(hydroxymethyl)-2-methyl-3-(methylamino)propanoate
CID 129120149
3-(Hydroxymethyl)-1-methylazetidine-3-carboxylic acid
CID 129981537
3-(Methylaminomethyl)oxetane-3-carboxylic acid
CID 117572500
3-(Ethylaminomethyl)oxetane-3-carboxylic acid
CID 117572501
3-Hydroxy-2-[(methylamino)methyl]propanoic acid hydrochloride
CID 119031942
Ethyl 3-(hydroxymethyl)azetidine-3-carboxylate
CID 129932331

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride (CID 155822168) is 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(CO)CNC1.
What is the InChIKey of 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride?
The InChIKey is GTDGNBHPWAHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c7-3-5(4(8)9)1-6-2-5;/h6-7H,1-3H2,(H,8,9);1H.
What are the key properties of 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride?
3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)azetidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155822168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).