3-aminoazetidine-1-carboxylic acid;hydrochloride

C4H9ClN2O2 — CID 126721297

IUPAC3-aminoazetidine-1-carboxylic acid;hydrochloride
SMILESCl.NC1CN(C(=O)O)C1
InChIInChI=1S/C4H8N2O2.ClH/c5-3-1-6(2-3)4(7)8;/h3H,1-2,5H2,(H,7,8);1H
InChIKeyPZUOSTPNRRRAMK-UHFFFAOYSA-N
MW152.58 g/mol
LogP-0.27
Rot. Bonds

About 3-aminoazetidine-1-carboxylic acid;hydrochloride

3-aminoazetidine-1-carboxylic acid;hydrochloride (PubChem CID 126721297) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 3-aminoazetidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-aminoazetidine-1-carboxylic acid;hydrochloride
PubChem CID126721297
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Name3-aminoazetidine-1-carboxylic acid;hydrochloride
SMILESCl.NC1CN(C(=O)O)C1
InChIInChI=1S/C4H8N2O2.ClH/c5-3-1-6(2-3)4(7)8;/h3H,1-2,5H2,(H,7,8);1H
InChIKeyPZUOSTPNRRRAMK-UHFFFAOYSA-N
XLogP-0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
3-(2-hydroxyethyl)azetidine-1-carboxylic acid
CID 89421066
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
(1-carboxyazetidin-3-yl)methanesulfinate
CID 174444201
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
2-aminoaziridine-1-carboxylic acid
CID 154148433

Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-aminoazetidine-1-carboxylic acid;hydrochloride (CID 126721297) is 3-aminoazetidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-aminoazetidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-aminoazetidine-1-carboxylic acid;hydrochloride is Cl.NC1CN(C(=O)O)C1.
What is the InChIKey of 3-aminoazetidine-1-carboxylic acid;hydrochloride?
The InChIKey is PZUOSTPNRRRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.ClH/c5-3-1-6(2-3)4(7)8;/h3H,1-2,5H2,(H,7,8);1H.
What are the key properties of 3-aminoazetidine-1-carboxylic acid;hydrochloride?
3-aminoazetidine-1-carboxylic acid;hydrochloride has a molecular weight of 152.58 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 126721297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).