ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate

C19H24N2O3 — CID 95253356

IUPACethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3
InChIInChI=1S/C19H24N2O3/c1-3-24-17(22)9-10-20-19(23)14-6-4-5-13-15-11-12(2)7-8-16(15)21-18(13)14/h4-6,12,21H,3,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyRNJLZKOVTRVJAU-GFCCVEGCSA-N
MW328.41 g/mol
LogP2.98
Rot. Bonds5

About ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate

ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate (PubChem CID 95253356) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
PubChem CID95253356
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3
InChIInChI=1S/C19H24N2O3/c1-3-24-17(22)9-10-20-19(23)14-6-4-5-13-15-11-12(2)7-8-16(15)21-18(13)14/h4-6,12,21H,3,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyRNJLZKOVTRVJAU-GFCCVEGCSA-N
XLogP2.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 95139505
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60518250
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate (CID 95253356) is ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3.
What is the InChIKey of ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate?
The InChIKey is RNJLZKOVTRVJAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-17(22)9-10-20-19(23)14-6-4-5-13-15-11-12(2)7-8-16(15)21-18(13)14/h4-6,12,21H,3,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate?
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate has a molecular weight of 328.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate is sourced from PubChem (CID 95253356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).