(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid

C14H14O5 — CID 3246065

IUPAC(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)CC[C@]1(C(=O)O)CCC(=O)c2ccccc21
InChIInChI=1S/C14H14O5/c15-11-5-7-14(13(18)19,8-6-12(16)17)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyVZMPBOYMHBGQPT-CQSZACIVSA-N
MW262.26 g/mol
LogP1.85
Rot. Bonds4

About (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid

(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid (PubChem CID 3246065) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
PubChem CID3246065
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)CC[C@]1(C(=O)O)CCC(=O)c2ccccc21
InChIInChI=1S/C14H14O5/c15-11-5-7-14(13(18)19,8-6-12(16)17)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyVZMPBOYMHBGQPT-CQSZACIVSA-N
XLogP1.85
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
CID 121004266
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
3-(2-hydroxy-3,4-dihydrochromen-2-yl)propanoic acid
CID 67346634
3-(2,5-dioxo-4,9b-dihydro-3H-indeno[1,2-b]pyran-4a-yl)propanoic acid
CID 175083251
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid (CID 3246065) is (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid is O=C(O)CC[C@]1(C(=O)O)CCC(=O)c2ccccc21.
What is the InChIKey of (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid?
The InChIKey is VZMPBOYMHBGQPT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14O5/c15-11-5-7-14(13(18)19,8-6-12(16)17)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,16,17)(H,18,19)/t14-/m1/s1.
What are the key properties of (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid?
(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 3246065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).