1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid

C14H14N2O4 — CID 80689283

IUPAC1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)c(N)c2ccccc12)C(N)=O
InChIInChI=1S/C14H14N2O4/c1-7(13(16)17)20-11-6-10(14(18)19)12(15)9-5-3-2-4-8(9)11/h2-7H,15H2,1H3,(H2,16,17)(H,18,19)
InChIKeyLIEIERDZUSGTHH-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.37
Rot. Bonds4

About 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid

1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid (PubChem CID 80689283) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
PubChem CID80689283
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)c(N)c2ccccc12)C(N)=O
InChIInChI=1S/C14H14N2O4/c1-7(13(16)17)20-11-6-10(14(18)19)12(15)9-5-3-2-4-8(9)11/h2-7H,15H2,1H3,(H2,16,17)(H,18,19)
InChIKeyLIEIERDZUSGTHH-UHFFFAOYSA-N
XLogP1.37
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 91696699
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
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2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
2-(2-amino-4-bromophenoxy)propanamide
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5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
CID 106500798
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
2-(3-aminophenoxy)propanamide
CID 43115971
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid (CID 80689283) is 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid is CC(Oc1cc(C(=O)O)c(N)c2ccccc12)C(N)=O.
What is the InChIKey of 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid?
The InChIKey is LIEIERDZUSGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-7(13(16)17)20-11-6-10(14(18)19)12(15)9-5-3-2-4-8(9)11/h2-7H,15H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid?
1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 80689283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).