2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid

C20H24N2O4 — CID 18710684

IUPAC2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
SMILESCCC1(CC(=O)O)CCCc2c1[nH]c1c(C(=O)C(C)(C)N=O)cccc21
InChIInChI=1S/C20H24N2O4/c1-4-20(11-15(23)24)10-6-9-13-12-7-5-8-14(16(12)21-17(13)20)18(25)19(2,3)22-26/h5,7-8,21H,4,6,9-11H2,1-3H3,(H,23,24)
InChIKeyGAQJOKBVLJNADM-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.35
Rot. Bonds6

About 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid

2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid (PubChem CID 18710684) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
PubChem CID18710684
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
SMILESCCC1(CC(=O)O)CCCc2c1[nH]c1c(C(=O)C(C)(C)N=O)cccc21
InChIInChI=1S/C20H24N2O4/c1-4-20(11-15(23)24)10-6-9-13-12-7-5-8-14(16(12)21-17(13)20)18(25)19(2,3)22-26/h5,7-8,21H,4,6,9-11H2,1-3H3,(H,23,24)
InChIKeyGAQJOKBVLJNADM-UHFFFAOYSA-N
XLogP4.35
TPSA99.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid with MolForge

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Related Compounds

2-(5,7-diethyl-1,2,4,6-tetrahydrooxepino[4,5-b]indol-5-yl)acetic acid
CID 143265884
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
2-[(4E)-1,8-diethyl-4-hydroxyimino-3,9-dihydro-2H-carbazol-1-yl]acetic acid
CID 135786496
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 19935715
2-[(4R)-4-[(Z)-but-2-enyl]-1-ethyl-8-methyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 70433906
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 688461
2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
CID 14201440
2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
CID 14302239
sodium;2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;hydride
CID 173052364
methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
2-[1-ethyl-8-(2,2,2-trifluoroethoxy)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 21272032
8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide
CID 130362581

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The IUPAC name of 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid (CID 18710684) is 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The canonical SMILES for 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid is CCC1(CC(=O)O)CCCc2c1[nH]c1c(C(=O)C(C)(C)N=O)cccc21.
What is the InChIKey of 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
The InChIKey is GAQJOKBVLJNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-20(11-15(23)24)10-6-9-13-12-7-5-8-14(16(12)21-17(13)20)18(25)19(2,3)22-26/h5,7-8,21H,4,6,9-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid?
2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-8-(2-methyl-2-nitrosopropanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid is sourced from PubChem (CID 18710684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).