methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate

C17H21NO2 — CID 129405058

IUPACmethyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
SMILESCC[C@@]1(CC(=O)OC)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H21NO2/c1-3-17(11-15(19)20-2)10-6-8-13-12-7-4-5-9-14(12)18-16(13)17/h4-5,7,9,18H,3,6,8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyDLWSLAUVOTYPJG-KRWDZBQOSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds3

About methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate

methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate (PubChem CID 129405058) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
PubChem CID129405058
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namemethyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
SMILESCC[C@@]1(CC(=O)OC)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H21NO2/c1-3-17(11-15(19)20-2)10-6-8-13-12-7-4-5-9-14(12)18-16(13)17/h4-5,7,9,18H,3,6,8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyDLWSLAUVOTYPJG-KRWDZBQOSA-N
XLogP3.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
methyl 2-[(1R)-4-benzyl-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 70430686
methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate
CID 165343225
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
methyl 2-[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]acetate
CID 153284466
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 19935715
methyl 4-(2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-12b-yl)butanoate
CID 614514
1,1-difluoro-2,3,4,9-tetrahydrocarbazole
CID 68954030
1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide
CID 141493623
methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate
CID 155336471
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095
methyl (3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylate
CID 51671010

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate?
The IUPAC name of methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate (CID 129405058) is methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate?
The canonical SMILES for methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate is CC[C@@]1(CC(=O)OC)CCCc2c1[nH]c1ccccc21.
What is the InChIKey of methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate?
The InChIKey is DLWSLAUVOTYPJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-17(11-15(19)20-2)10-6-8-13-12-7-4-5-9-14(12)18-16(13)17/h4-5,7,9,18H,3,6,8,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate?
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate has a molecular weight of 271.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate is sourced from PubChem (CID 129405058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).