3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid

C16H13NO4 — CID 24698009

IUPAC3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
SMILESC#CCNC(=O)COc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H13NO4/c1-2-7-17-15(18)10-21-14-9-12-6-4-3-5-11(12)8-13(14)16(19)20/h1,3-6,8-9H,7,10H2,(H,17,18)(H,19,20)
InChIKeyQVVLFVBUZZMVRJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.67
Rot. Bonds5

About 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid

3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid (PubChem CID 24698009) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
PubChem CID24698009
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
SMILESC#CCNC(=O)COc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H13NO4/c1-2-7-17-15(18)10-21-14-9-12-6-4-3-5-11(12)8-13(14)16(19)20/h1,3-6,8-9H,7,10H2,(H,17,18)(H,19,20)
InChIKeyQVVLFVBUZZMVRJ-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzoic acid
CID 24710947
2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
CID 9017984
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid (CID 24698009) is 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid is C#CCNC(=O)COc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid?
The InChIKey is QVVLFVBUZZMVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-7-17-15(18)10-21-14-9-12-6-4-3-5-11(12)8-13(14)16(19)20/h1,3-6,8-9H,7,10H2,(H,17,18)(H,19,20).
What are the key properties of 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid?
3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 24698009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).