1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid

C14H16N2O2 — CID 125454213

IUPAC1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESN#Cc1cccc([C@@H](CN)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H16N2O2/c15-8-10-3-1-4-11(7-10)12(9-16)14(13(17)18)5-2-6-14/h1,3-4,7,12H,2,5-6,9,16H2,(H,17,18)/t12-/m1/s1
InChIKeyZSBDPMWHPJCPBS-GFCCVEGCSA-N
MW244.29 g/mol
LogP1.86
Rot. Bonds4

About 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid

1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125454213) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID125454213
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESN#Cc1cccc([C@@H](CN)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H16N2O2/c15-8-10-3-1-4-11(7-10)12(9-16)14(13(17)18)5-2-6-14/h1,3-4,7,12H,2,5-6,9,16H2,(H,17,18)/t12-/m1/s1
InChIKeyZSBDPMWHPJCPBS-GFCCVEGCSA-N
XLogP1.86
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452500
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid
CID 66823329
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid (CID 125454213) is 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid is N#Cc1cccc([C@@H](CN)C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZSBDPMWHPJCPBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-10-3-1-4-11(7-10)12(9-16)14(13(17)18)5-2-6-14/h1,3-4,7,12H,2,5-6,9,16H2,(H,17,18)/t12-/m1/s1.
What are the key properties of 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid?
1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125454213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).