(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid

C11H13NO2 — CID 155893335

IUPAC(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C11H13NO2/c12-11(10(13)14)7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9?,11-/m0/s1
InChIKeyHOQAZBBALROTIH-UMJHXOGRSA-N
MW191.23 g/mol
LogP1.35
Rot. Bonds2

About (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid

(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid (PubChem CID 155893335) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
PubChem CID155893335
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C11H13NO2/c12-11(10(13)14)7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9?,11-/m0/s1
InChIKeyHOQAZBBALROTIH-UMJHXOGRSA-N
XLogP1.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid
CID 10536660
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724
(2R)-2-phenylcyclobutane-1,1-dicarboxylate
CID 7203604
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
(2,2-difluorocyclobutyl)benzene
CID 91804683

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid (CID 155893335) is (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid is N[C@@]1(C(=O)O)CCC1c1ccccc1.
What is the InChIKey of (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid?
The InChIKey is HOQAZBBALROTIH-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H13NO2/c12-11(10(13)14)7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9?,11-/m0/s1.
What are the key properties of (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid?
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 155893335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).