cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid

C20H22N2O4 — CID 66548384

IUPACcyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(C1CC1)N1CC2CC(C1)N2.O=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H8O3.C9H14N2O/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h1-6,12H,(H,13,14);6-8,10H,1-5H2
InChIKeyRVUKQTNAMKFLLV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds2

About cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid

cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 66548384) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Namecyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid
PubChem CID66548384
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namecyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(C1CC1)N1CC2CC(C1)N2.O=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H8O3.C9H14N2O/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h1-6,12H,(H,13,14);6-8,10H,1-5H2
InChIKeyRVUKQTNAMKFLLV-UHFFFAOYSA-N
XLogP2.21
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119635548
2-[(3R,5S)-5-(azetidine-1-carbonyl)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 162107896
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 120655609
3,4-dihydroxybenzoic acid;1-hydroxynaphthalene-2-carboxylic acid
CID 159518450
(4-tert-butylcyclohexyl)-(1-hydroxynaphthalen-2-yl)methanone
CID 44531313
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone;hydrochloride
CID 171686632

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid (CID 66548384) is cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid is O=C(C1CC1)N1CC2CC(C1)N2.O=C(O)c1ccc2ccccc2c1O.
What is the InChIKey of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is RVUKQTNAMKFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.C9H14N2O/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h1-6,12H,(H,13,14);6-8,10H,1-5H2.
What are the key properties of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid?
cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 66548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).