(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

C20H24N2O4 — CID 138806243

IUPAC(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1
InChIInChI=1S/C20H24N2O4/c1-11-4-5-12(2)18-17(11)15(13(3)21-18)6-16(23)22-7-14-8-26-10-20(14,9-22)19(24)25/h4-5,14,21H,6-10H2,1-3H3,(H,24,25)/t14-,20-/m1/s1
InChIKeyMIEWDFDXYUKJNP-JLTOFOAXSA-N
MW356.42 g/mol
LogP2.20
Rot. Bonds3

About (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 138806243) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID138806243
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1
InChIInChI=1S/C20H24N2O4/c1-11-4-5-12(2)18-17(11)15(13(3)21-18)6-16(23)22-7-14-8-26-10-20(14,9-22)19(24)25/h4-5,14,21H,6-10H2,1-3H3,(H,24,25)/t14-,20-/m1/s1
InChIKeyMIEWDFDXYUKJNP-JLTOFOAXSA-N
XLogP2.20
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 72850412
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
(3aR,6aR)-5-(3-phenoxypropanoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806566
(3aR,7aR)-2-[2-(4-fluorophenyl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137342174
(3aR,6aR)-5-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806489
(3aR,6aR)-5-[4-(4-chlorophenyl)butanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138810387
(3aS,7aS)-2-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628829
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70724365
methyl (3aS,6aS)-5-[2-(1,3-dihydroisoindol-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162626555
(3aS,7aS)-2-(2-thiophen-3-ylacetyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627209
(3aS,7aR)-2-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70720286
(3aR,7aR)-2-[2-(4-methoxyphenyl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137337660

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (CID 138806243) is (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1.
What is the InChIKey of (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is MIEWDFDXYUKJNP-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11-4-5-12(2)18-17(11)15(13(3)21-18)6-16(23)22-7-14-8-26-10-20(14,9-22)19(24)25/h4-5,14,21H,6-10H2,1-3H3,(H,24,25)/t14-,20-/m1/s1.
What are the key properties of (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 138806243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).