2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid

C16H15NO4 — CID 64604771

IUPAC2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C16H15NO4/c18-14(19)7-10-8-17(9-10)16(21)13-6-5-11-3-1-2-4-12(11)15(13)20/h1-6,10,20H,7-9H2,(H,18,19)
InChIKeyZGZTXMLKLAWUNZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.09
Rot. Bonds3

About 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604771) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604771
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C16H15NO4/c18-14(19)7-10-8-17(9-10)16(21)13-6-5-11-3-1-2-4-12(11)15(13)20/h1-6,10,20H,7-9H2,(H,18,19)
InChIKeyZGZTXMLKLAWUNZ-UHFFFAOYSA-N
XLogP2.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
2-[1-(2-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64603312
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133121038
2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64602979
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
2-[1-[2-(trifluoromethylsulfanyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605987
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid (CID 64604771) is 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccc3ccccc3c2O)C1.
What is the InChIKey of 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is ZGZTXMLKLAWUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14(19)7-10-8-17(9-10)16(21)13-6-5-11-3-1-2-4-12(11)15(13)20/h1-6,10,20H,7-9H2,(H,18,19).
What are the key properties of 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).