(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid

C19H29NO2 — CID 70486702

IUPAC(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCCCCCCCCCC[C@H]1Cc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-17-13-15-11-12-16(19(21)22)14-18(15)20-17/h11-12,14,17,20H,2-10,13H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyNGUQPIGUWYHNFP-KRWDZBQOSA-N
MW303.45 g/mol
LogP5.25
Rot. Bonds10

About (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid

(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid (PubChem CID 70486702) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
PubChem CID70486702
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCCCCCCCCCC[C@H]1Cc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-17-13-15-11-12-16(19(21)22)14-18(15)20-17/h11-12,14,17,20H,2-10,13H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyNGUQPIGUWYHNFP-KRWDZBQOSA-N
XLogP5.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.25
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-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
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)-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
(2R)-2-[(2R)-octadecan-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
CID 24839530
2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
CID 57090472
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
2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CID 86099294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The IUPAC name of (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid (CID 70486702) is (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid.
What is the SMILES notation for (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The canonical SMILES for (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid is CCCCCCCCCC[C@H]1Cc2ccc(C(=O)O)cc2N1.
What is the InChIKey of (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The InChIKey is NGUQPIGUWYHNFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-17-13-15-11-12-16(19(21)22)14-18(15)20-17/h11-12,14,17,20H,2-10,13H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid?
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid has a molecular weight of 303.45 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 70486702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).