[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C19H24N2O3 — CID 2649013

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3
InChIInChI=1S/C19H24N2O3/c1-11(2)20-18(22)10-24-19(23)13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)21-17/h5,7,9,11-12,21H,4,6,8,10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyJASXEISWUKEVRE-LBPRGKRZSA-N
MW328.41 g/mol
LogP2.97
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 2649013) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID2649013
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3
InChIInChI=1S/C19H24N2O3/c1-11(2)20-18(22)10-24-19(23)13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)21-17/h5,7,9,11-12,21H,4,6,8,10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyJASXEISWUKEVRE-LBPRGKRZSA-N
XLogP2.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.97
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

[2-oxo-2-(pentan-3-ylamino)ethyl] (6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 51660182
[2-(2-methylpropylamino)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649029
[2-(furan-2-ylmethylamino)-2-oxoethyl] (6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2654493
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42902545
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 3678302
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42969662
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 16541981
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 9117094
[1-oxo-1-(propylamino)propan-2-yl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 45351677
methyl 4-methyl-2-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]pentanoate
CID 18284651
pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 43009061
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 2649013) is [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC(C)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is JASXEISWUKEVRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(2)20-18(22)10-24-19(23)13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)21-17/h5,7,9,11-12,21H,4,6,8,10H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 2649013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).