2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid

C14H13NO4 — CID 43505650

IUPAC2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
SMILESNC(=O)CCOc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C14H13NO4/c15-12(16)7-8-19-11-6-5-9-3-1-2-4-10(9)13(11)14(17)18/h1-6H,7-8H2,(H2,15,16)(H,17,18)
InChIKeyJGUUPEJTDDCJIF-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid

2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid (PubChem CID 43505650) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
PubChem CID43505650
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
SMILESNC(=O)CCOc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C14H13NO4/c15-12(16)7-8-19-11-6-5-9-3-1-2-4-10(9)13(11)14(17)18/h1-6H,7-8H2,(H2,15,16)(H,17,18)
InChIKeyJGUUPEJTDDCJIF-UHFFFAOYSA-N
XLogP1.79
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
2-[2-(2,5-dimethylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 20990513
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
3-(2-aminophenoxy)propanamide
CID 39869131
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]naphthalene-1-carboxylic acid
CID 43505628
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22681770
2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid
CID 10917562
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid (CID 43505650) is 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid is NC(=O)CCOc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid?
The InChIKey is JGUUPEJTDDCJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c15-12(16)7-8-19-11-6-5-9-3-1-2-4-10(9)13(11)14(17)18/h1-6H,7-8H2,(H2,15,16)(H,17,18).
What are the key properties of 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid?
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 43505650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).