(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone

C13H16N2O3 — CID 107691422

IUPAC(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESNC1(C2CC2)CN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C13H16N2O3/c14-13(8-4-5-8)6-15(7-13)12(18)11-9(16)2-1-3-10(11)17/h1-3,8,16-17H,4-7,14H2
InChIKeyWXKBNRQNZABIQV-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.66
Rot. Bonds2

About (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone

(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 107691422) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID107691422
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESNC1(C2CC2)CN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C13H16N2O3/c14-13(8-4-5-8)6-15(7-13)12(18)11-9(16)2-1-3-10(11)17/h1-3,8,16-17H,4-7,14H2
InChIKeyWXKBNRQNZABIQV-UHFFFAOYSA-N
XLogP0.66
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107691006
4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
CID 114039965
(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 103890281
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691311
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone
CID 117045638
(2-fluoro-6-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812743
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone (CID 107691422) is (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone is NC1(C2CC2)CN(C(=O)c2c(O)cccc2O)C1.
What is the InChIKey of (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is WXKBNRQNZABIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-13(8-4-5-8)6-15(7-13)12(18)11-9(16)2-1-3-10(11)17/h1-3,8,16-17H,4-7,14H2.
What are the key properties of (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone has a molecular weight of 248.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107691422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).