1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid

C13H17NO3 — CID 125453575

IUPAC1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@@H](c1cccc(O)c1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO3/c14-8-11(9-3-1-4-10(15)7-9)13(12(16)17)5-2-6-13/h1,3-4,7,11,15H,2,5-6,8,14H2,(H,16,17)/t11-/m0/s1
InChIKeyUNOPBYSVFIREJT-NSHDSACASA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds4

About 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid

1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125453575) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID125453575
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@@H](c1cccc(O)c1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H17NO3/c14-8-11(9-3-1-4-10(15)7-9)13(12(16)17)5-2-6-13/h1,3-4,7,11,15H,2,5-6,8,14H2,(H,16,17)/t11-/m0/s1
InChIKeyUNOPBYSVFIREJT-NSHDSACASA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452500
1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125454213
1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125453369
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125451251
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125454135
3-(1-aminocyclobutyl)phenol
CID 82596466
1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid
CID 125451372
3-(2-amino-1-hydroxyethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25268111
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid (CID 125453575) is 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid is NC[C@@H](c1cccc(O)c1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is UNOPBYSVFIREJT-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO3/c14-8-11(9-3-1-4-10(15)7-9)13(12(16)17)5-2-6-13/h1,3-4,7,11,15H,2,5-6,8,14H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid?
1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125453575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).