2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

C22H23NO3 — CID 11674685

IUPAC2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)[C@@H](CC(=O)O)CCC1
InChIInChI=1S/C22H23NO3/c1-26-17-10-11-20-19(13-17)18-9-5-8-16(12-21(24)25)22(18)23(20)14-15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyPYEAZTSQDCDTDV-MRXNPFEDSA-N
MW349.43 g/mol
LogP4.59
Rot. Bonds5

About 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (PubChem CID 11674685) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
PubChem CID11674685
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)[C@@H](CC(=O)O)CCC1
InChIInChI=1S/C22H23NO3/c1-26-17-10-11-20-19(13-17)18-9-5-8-16(12-21(24)25)22(18)23(20)14-15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyPYEAZTSQDCDTDV-MRXNPFEDSA-N
XLogP4.59
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[9-[(4-chlorophenyl)methyl]-6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372507
2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid
CID 21191871
2-[(1R)-9-benzyl-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11581192
9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
CID 102361610
3-[9-[(4-chlorophenyl)methyl]-6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydrocarbazol-1-yl]propanoic acid
CID 19755368
(9-benzyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 67866847
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
CID 141011089
ethyl 2-[9-[(4-chlorophenyl)methyl]-6-methylsulfinyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 23043063
2-[9-[(4-chlorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372497
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
1-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)-N-methylmethanamine
CID 84637264

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The IUPAC name of 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (CID 11674685) is 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The canonical SMILES for 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is COc1ccc2c(c1)c1c(n2Cc2ccccc2)[C@@H](CC(=O)O)CCC1.
What is the InChIKey of 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The InChIKey is PYEAZTSQDCDTDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23NO3/c1-26-17-10-11-20-19(13-17)18-9-5-8-16(12-21(24)25)22(18)23(20)14-15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12,14H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid has a molecular weight of 349.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is sourced from PubChem (CID 11674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).