3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

C16H19NO2 — CID 82499867

IUPAC3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCc1ccc2c3c(n(CCC(=O)O)c2c1)CCCC3
InChIInChI=1S/C16H19NO2/c1-11-6-7-13-12-4-2-3-5-14(12)17(15(13)10-11)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyIRBGFIJKUOUBBF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.30
Rot. Bonds3

About 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (PubChem CID 82499867) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
PubChem CID82499867
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCc1ccc2c3c(n(CCC(=O)O)c2c1)CCCC3
InChIInChI=1S/C16H19NO2/c1-11-6-7-13-12-4-2-3-5-14(12)17(15(13)10-11)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyIRBGFIJKUOUBBF-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-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 82497336
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
4-(2-benzoyl-9-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)butanoic acid
CID 143634258
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 176964378
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
CID 5223647
3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 98008228
(E)-but-2-enedioic acid;2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
CID 6444790
3-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid
CID 19257159
3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The IUPAC name of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (CID 82499867) is 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.
What is the SMILES notation for 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The canonical SMILES for 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is Cc1ccc2c3c(n(CCC(=O)O)c2c1)CCCC3.
What is the InChIKey of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The InChIKey is IRBGFIJKUOUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-7-13-12-4-2-3-5-14(12)17(15(13)10-11)9-8-16(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
3-(7-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-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is sourced from PubChem (CID 82499867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).