(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid

C17H17NO4 — CID 53473884

IUPAC(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@H](C(=O)O)N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c1-17(2)18(14(10-22-17)16(20)21)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyYEAKFBLXAPHWFM-CQSZACIVSA-N
MW299.33 g/mol
LogP2.50
Rot. Bonds2

About (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid

(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 53473884) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID53473884
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@H](C(=O)O)N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c1-17(2)18(14(10-22-17)16(20)21)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyYEAKFBLXAPHWFM-CQSZACIVSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid (CID 53473884) is (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid is CC1(C)OC[C@H](C(=O)O)N1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is YEAKFBLXAPHWFM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(2)18(14(10-22-17)16(20)21)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid?
(4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-3-(naphthalene-2-carbonyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 53473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).