(2S)-1-phenylazetidine-2-carboxylic acid

C10H11NO2 — CID 57017156

IUPAC(2S)-1-phenylazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-10(13)9-6-7-11(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyQPQDRZKUVIGWMV-VIFPVBQESA-N
MW177.20 g/mol
LogP1.35
Rot. Bonds2

About (2S)-1-phenylazetidine-2-carboxylic acid

(2S)-1-phenylazetidine-2-carboxylic acid (PubChem CID 57017156) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-1-phenylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-phenylazetidine-2-carboxylic acid
PubChem CID57017156
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2S)-1-phenylazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-10(13)9-6-7-11(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyQPQDRZKUVIGWMV-VIFPVBQESA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187
2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
CID 164769489
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
CID 142847935
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
(2S,4R)-4-methyl-1-phenylpyrrolidine-2-carboxylic acid
CID 134397150
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
1-[4-(1-carboxycyclobutyl)phenyl]pyrrolidine-2-carboxylic acid
CID 82537977
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
2-hydroxy-4-oxo-4-(1-phenylpyrrolidin-2-yl)but-2-enoic acid
CID 174437161
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylazetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-phenylazetidine-2-carboxylic acid (CID 57017156) is (2S)-1-phenylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-phenylazetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-phenylazetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1c1ccccc1.
What is the InChIKey of (2S)-1-phenylazetidine-2-carboxylic acid?
The InChIKey is QPQDRZKUVIGWMV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)9-6-7-11(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-phenylazetidine-2-carboxylic acid?
(2S)-1-phenylazetidine-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylazetidine-2-carboxylic acid is sourced from PubChem (CID 57017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).