(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid

C24H39NO2 — CID 70487224

IUPAC(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
SMILESCCCCCCCCCCCCCCC[C@H]1Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-19-21-18-20(24(26)27)16-17-23(21)25-22/h16-18,22,25H,2-15,19H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyANQXYKNSHKZLKV-QFIPXVFZSA-N
MW373.58 g/mol
LogP7.20
Rot. Bonds15

About (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid

(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid (PubChem CID 70487224) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
PubChem CID70487224
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
SMILESCCCCCCCCCCCCCCC[C@H]1Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-19-21-18-20(24(26)27)16-17-23(21)25-22/h16-18,22,25H,2-15,19H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyANQXYKNSHKZLKV-QFIPXVFZSA-N
XLogP7.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
(2R)-2-[(2R)-octadecan-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
CID 24839530
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307
(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
(2S)-2-ethyl-4-heptyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 59082338
(2S)-1-methyl-2-undecyl-2,3-dihydroindole-6-carboxylic acid
CID 70511754
(3S)-3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 70486811
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
4-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid?
The IUPAC name of (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid (CID 70487224) is (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid.
What is the SMILES notation for (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid?
The canonical SMILES for (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid is CCCCCCCCCCCCCCC[C@H]1Cc2cc(C(=O)O)ccc2N1.
What is the InChIKey of (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid?
The InChIKey is ANQXYKNSHKZLKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-19-21-18-20(24(26)27)16-17-23(21)25-22/h16-18,22,25H,2-15,19H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid?
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid has a molecular weight of 373.58 g/mol, XLogP of 7.20, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid is sourced from PubChem (CID 70487224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).