5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid

C16H19NO4 — CID 102688438

IUPAC5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCc3ccccc3C2)O1
InChIInChI=1S/C16H19NO4/c18-15(13-7-8-14(21-13)16(19)20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20)
InChIKeyHDBVUBKVJRBVOY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.29
Rot. Bonds3

About 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid

5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688438) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688438
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCc3ccccc3C2)O1
InChIInChI=1S/C16H19NO4/c18-15(13-7-8-14(21-13)16(19)20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20)
InChIKeyHDBVUBKVJRBVOY-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119688069
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
(2R)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119688067
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270483
N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477
3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62317267

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102688438) is 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCc3ccccc3C2)O1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is HDBVUBKVJRBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(13-7-8-14(21-13)16(19)20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).