2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

C18H24N2O4 — CID 23470320

IUPAC2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESCOc1cc2c3c(n(CC(=O)O)c2cc1OC)CCC(N(C)C)C3
InChIInChI=1S/C18H24N2O4/c1-19(2)11-5-6-14-12(7-11)13-8-16(23-3)17(24-4)9-15(13)20(14)10-18(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)
InChIKeySVVKAUPXERGCCY-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.16
Rot. Bonds5

About 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (PubChem CID 23470320) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
PubChem CID23470320
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESCOc1cc2c3c(n(CC(=O)O)c2cc1OC)CCC(N(C)C)C3
InChIInChI=1S/C18H24N2O4/c1-19(2)11-5-6-14-12(7-11)13-8-16(23-3)17(24-4)9-15(13)20(14)10-18(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)
InChIKeySVVKAUPXERGCCY-UHFFFAOYSA-N
XLogP2.16
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-fluoro-3-[3-(2-methoxyphenyl)propanoyl-(naphthalen-1-ylmethyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812358
2-[(3S)-6-fluoro-3-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811814
2-[(3S)-6-fluoro-3-[3-(2-methoxyphenyl)propanoyl-(2-phenoxyethyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811559
2-[6-fluoro-3-[methyl-[2-(2-methylphenyl)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812109
9-(carboxymethyl)-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948261
2-[(3S)-6-fluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 53468637
2-[3-[1,3-benzoxazol-2-yl(methyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67404502
2-[(3S)-3-[ethyl(3-phenylpropanoyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024058
2-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358490
2-[3-[(6-chloro-1,3-benzoxazol-2-yl)-methylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67404797
2-[6-fluoro-3-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811952
2-[3-[[2-(4-chlorophenyl)acetyl]-propylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811899

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (CID 23470320) is 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is COc1cc2c3c(n(CC(=O)O)c2cc1OC)CCC(N(C)C)C3.
What is the InChIKey of 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The InChIKey is SVVKAUPXERGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19(2)11-5-6-14-12(7-11)13-8-16(23-3)17(24-4)9-15(13)20(14)10-18(21)22/h8-9,11H,5-7,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is sourced from PubChem (CID 23470320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).