1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid

C15H18N2O4 — CID 45072504

IUPAC1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C15H18N2O4/c18-14(19)12-6-16(7-12)13-8-17(9-13)15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)
InChIKeyHAXZEKLANUVRIN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.02
Rot. Bonds4

About 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid

1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid (PubChem CID 45072504) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
PubChem CID45072504
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C15H18N2O4/c18-14(19)12-6-16(7-12)13-8-17(9-13)15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)
InChIKeyHAXZEKLANUVRIN-UHFFFAOYSA-N
XLogP1.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078
(3S,5S)-5-(4-methylpiperidin-1-yl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 125458380
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidine-1-carboxylate
CID 118162425
(3S,4R)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 89439878
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 58284767
(3R,4R)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67126561
(3R,4S)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 170901087

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid (CID 45072504) is 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(C2CN(C(=O)OCc3ccccc3)C2)C1.
What is the InChIKey of 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid?
The InChIKey is HAXZEKLANUVRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)12-6-16(7-12)13-8-17(9-13)15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19).
What are the key properties of 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid?
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 45072504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).