1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid

C12H15NO3 — CID 81167827

IUPAC1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cccc(O)c2)CCC1
InChIInChI=1S/C12H15NO3/c14-10-4-1-3-9(7-10)8-13-12(11(15)16)5-2-6-12/h1,3-4,7,13-14H,2,5-6,8H2,(H,15,16)
InChIKeyNFXGSBFDOREORM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.49
Rot. Bonds4

About 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid

1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167827) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81167827
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cccc(O)c2)CCC1
InChIInChI=1S/C12H15NO3/c14-10-4-1-3-9(7-10)8-13-12(11(15)16)5-2-6-12/h1,3-4,7,13-14H,2,5-6,8H2,(H,15,16)
InChIKeyNFXGSBFDOREORM-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81168085
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid (CID 81167827) is 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2cccc(O)c2)CCC1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is NFXGSBFDOREORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-4-1-3-9(7-10)8-13-12(11(15)16)5-2-6-12/h1,3-4,7,13-14H,2,5-6,8H2,(H,15,16).
What are the key properties of 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid?
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).