4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

C16H20N2O2 — CID 84641761

IUPAC4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCC(C)c1ccc2[nH]c3c(c2c1)C(N)CC(C(=O)O)C3
InChIInChI=1S/C16H20N2O2/c1-8(2)9-3-4-13-11(5-9)15-12(17)6-10(16(19)20)7-14(15)18-13/h3-5,8,10,12,18H,6-7,17H2,1-2H3,(H,19,20)
InChIKeyKAHYHVHSIBXCEX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds2

About 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (PubChem CID 84641761) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
PubChem CID84641761
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCC(C)c1ccc2[nH]c3c(c2c1)C(N)CC(C(=O)O)C3
InChIInChI=1S/C16H20N2O2/c1-8(2)9-3-4-13-11(5-9)15-12(17)6-10(16(19)20)7-14(15)18-13/h3-5,8,10,12,18H,6-7,17H2,1-2H3,(H,19,20)
InChIKeyKAHYHVHSIBXCEX-UHFFFAOYSA-N
XLogP2.94
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 84638532
cyclopropyl-(2-methyl-5-propan-2-yl-1H-indol-3-yl)methanone
CID 82279215
(1S,12R,20R)-5-propan-2-yl-9,17-diazapentacyclo[10.7.1.02,10.03,8.017,20]icosa-2(10),3(8),4,6-tetraene
CID 102035344
1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278466
cyclopropyl-(8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089389
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452714
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84741422
1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
CID 22097863
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine
CID 117355747
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The IUPAC name of 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (CID 84641761) is 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The canonical SMILES for 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is CC(C)c1ccc2[nH]c3c(c2c1)C(N)CC(C(=O)O)C3.
What is the InChIKey of 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The InChIKey is KAHYHVHSIBXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-8(2)9-3-4-13-11(5-9)15-12(17)6-10(16(19)20)7-14(15)18-13/h3-5,8,10,12,18H,6-7,17H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is sourced from PubChem (CID 84641761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).