(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid

C18H23NO4 — CID 54307744

IUPAC(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@H]1Cc2ccccc2N1C(=O)OCCC1CCCCC1
InChIInChI=1S/C18H23NO4/c20-17(21)16-12-14-8-4-5-9-15(14)19(16)18(22)23-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,20,21)/t16-/m1/s1
InChIKeySISHGHZTIKADGB-MRXNPFEDSA-N
MW317.38 g/mol
LogP3.61
Rot. Bonds4

About (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid

(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 54307744) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID54307744
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@H]1Cc2ccccc2N1C(=O)OCCC1CCCCC1
InChIInChI=1S/C18H23NO4/c20-17(21)16-12-14-8-4-5-9-15(14)19(16)18(22)23-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,20,21)/t16-/m1/s1
InChIKeySISHGHZTIKADGB-MRXNPFEDSA-N
XLogP3.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-(2-amino-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 79805266
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 65270017
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
3-cyclohexylpropyl (2R)-2-[[2-[(3R)-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-(2-phenylethyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 54025400
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 54307744) is (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@H]1Cc2ccccc2N1C(=O)OCCC1CCCCC1.
What is the InChIKey of (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SISHGHZTIKADGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(21)16-12-14-8-4-5-9-15(14)19(16)18(22)23-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid?
(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 54307744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).