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

C18H21NO2 — CID 14302239

IUPAC2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
SMILESCCc1cccc2c3c([nH]c12)[C@@]1(CC(=O)O)CC[C@H]1CC3
InChIInChI=1S/C18H21NO2/c1-2-11-4-3-5-13-14-7-6-12-8-9-18(12,10-15(20)21)17(14)19-16(11)13/h3-5,12,19H,2,6-10H2,1H3,(H,20,21)/t12-,18-/m1/s1
InChIKeyIHKYTPRGBBQOHE-KZULUSFZSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds3

About 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

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 (PubChem CID 14302239) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
PubChem CID14302239
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
SMILESCCc1cccc2c3c([nH]c12)[C@@]1(CC(=O)O)CC[C@H]1CC3
InChIInChI=1S/C18H21NO2/c1-2-11-4-3-5-13-14-7-6-12-8-9-18(12,10-15(20)21)17(14)19-16(11)13/h3-5,12,19H,2,6-10H2,1H3,(H,20,21)/t12-,18-/m1/s1
InChIKeyIHKYTPRGBBQOHE-KZULUSFZSA-N
XLogP3.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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CID 688461
2-(5,7-diethyl-1,2,4,6-tetrahydrooxepino[4,5-b]indol-5-yl)acetic acid
CID 143265884
8-ethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-carboxylic acid
CID 69197395
2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
CID 14201440
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CID 135786496
(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
CID 83835518
8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82492828
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 10967690
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CID 11466560
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 11277657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc2c3c([nH]c12)[C@@]1(CC(=O)O)CC[C@H]1CC3.
What is the InChIKey of 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?
The InChIKey is IHKYTPRGBBQOHE-KZULUSFZSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-11-4-3-5-13-14-7-6-12-8-9-18(12,10-15(20)21)17(14)19-16(11)13/h3-5,12,19H,2,6-10H2,1H3,(H,20,21)/t12-,18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 283.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 14302239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).