benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate

C13H18N2O3 — CID 115006762

IUPACbenzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
SMILESNCC(O)C1CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c14-8-12(16)11-6-7-15(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChIKeyJOCKAKOKJAKZQV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.72
Rot. Bonds4

About benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate

benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate (PubChem CID 115006762) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
PubChem CID115006762
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
SMILESNCC(O)C1CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c14-8-12(16)11-6-7-15(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChIKeyJOCKAKOKJAKZQV-UHFFFAOYSA-N
XLogP0.72
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
benzyl (2S)-2-[dimethylamino(hydroxy)methyl]azetidine-1-carboxylate
CID 143448377
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
benzyl (2S)-2-[(2S)-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 50899991
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl (2R)-2-[(1R)-1-hydroxypent-4-enyl]pyrrolidine-1-carboxylate
CID 54578974
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
dibenzyl (2S)-3-hydroxypyrrolidine-1,2-dicarboxylate;hydrochloride
CID 18346184
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate (CID 115006762) is benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate is NCC(O)C1CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate?
The InChIKey is JOCKAKOKJAKZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-8-12(16)11-6-7-15(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2.
What are the key properties of benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate?
benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate is sourced from PubChem (CID 115006762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).