3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

C16H19NO2 — CID 82499865

IUPAC3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1
InChIInChI=1S/C16H19NO2/c1-11-6-7-15-13(10-11)12-4-2-3-5-14(12)17(15)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyHHTTWAAEUWPMAN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.30
Rot. Bonds3

About 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (PubChem CID 82499865) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
PubChem CID82499865
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1
InChIInChI=1S/C16H19NO2/c1-11-6-7-15-13(10-11)12-4-2-3-5-14(12)17(15)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyHHTTWAAEUWPMAN-UHFFFAOYSA-N
XLogP3.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499867
3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502019
3-(6,8-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502021
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 176964378
4-(2-benzoyl-9-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)butanoic acid
CID 143634258
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
CID 6949865
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83948273
ethyl 3-(2,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)propanoate
CID 139738845
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 82497336
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (CID 82499865) is 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is Cc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1.
What is the InChIKey of 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The InChIKey is HHTTWAAEUWPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-7-15-13(10-11)12-4-2-3-5-14(12)17(15)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is sourced from PubChem (CID 82499865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).