2-(1-phenoxycarbonylazetidin-3-yl)acetic acid

C12H13NO4 — CID 64617419

IUPAC2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H13NO4/c14-11(15)6-9-7-13(8-9)12(16)17-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,15)
InChIKeyDYSISNNCUCFLJY-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.59
Rot. Bonds3

About 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid

2-(1-phenoxycarbonylazetidin-3-yl)acetic acid (PubChem CID 64617419) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
PubChem CID64617419
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H13NO4/c14-11(15)6-9-7-13(8-9)12(16)17-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,15)
InChIKeyDYSISNNCUCFLJY-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 11196412
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
2-[1-(2-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64603312
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid (CID 64617419) is 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid is O=C(O)CC1CN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid?
The InChIKey is DYSISNNCUCFLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)6-9-7-13(8-9)12(16)17-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,15).
What are the key properties of 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid?
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxycarbonylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64617419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).