4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid

C16H15NO4 — CID 66223547

IUPAC4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO4/c18-15(17-14-9-21-8-13(14)16(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9H2,(H,17,18)(H,19,20)
InChIKeyLVAPGNXDTWEDIQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.67
Rot. Bonds3

About 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid

4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66223547) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66223547
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO4/c18-15(17-14-9-21-8-13(14)16(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9H2,(H,17,18)(H,19,20)
InChIKeyLVAPGNXDTWEDIQ-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 91798169
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-(quinoline-8-carbonylamino)oxolane-3-carboxylic acid
CID 66221838

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid (CID 66223547) is 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is LVAPGNXDTWEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(17-14-9-21-8-13(14)16(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid?
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66223547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).