(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride

C19H25ClN2O3 — CID 120680290

IUPAC(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)O)C1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-13-9-14-5-2-3-7-16(14)21(13)17(22)11-20-10-15-6-4-8-19(15,12-20)18(23)24;/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,23,24);1H/t13?,15-,19+;/m0./s1
InChIKeyULGZKSPWFHMXBZ-YLTZVKSWSA-N
MW364.87 g/mol
LogP2.57
Rot. Bonds3

About (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride

(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride (PubChem CID 120680290) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
PubChem CID120680290
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)O)C1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-13-9-14-5-2-3-7-16(14)21(13)17(22)11-20-10-15-6-4-8-19(15,12-20)18(23)24;/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,23,24);1H/t13?,15-,19+;/m0./s1
InChIKeyULGZKSPWFHMXBZ-YLTZVKSWSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 128974987
(3aS,6aR)-2-[[2-(2-methylphenyl)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045297
(3aS,6aR)-2-(2-benzylsulfanylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045043
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 93299689
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride?
The IUPAC name of (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride (CID 120680290) is (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride.
What is the SMILES notation for (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride?
The canonical SMILES for (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride is CC1Cc2ccccc2N1C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)O)C1.Cl.
What is the InChIKey of (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride?
The InChIKey is ULGZKSPWFHMXBZ-YLTZVKSWSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-13-9-14-5-2-3-7-16(14)21(13)17(22)11-20-10-15-6-4-8-19(15,12-20)18(23)24;/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,23,24);1H/t13?,15-,19+;/m0./s1.
What are the key properties of (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride?
(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride is sourced from PubChem (CID 120680290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).