[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid

C26H32N4O4 — CID 54052356

IUPAC[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid
SMILESC[C@H]1C[C@@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C(=O)N1OCc1ccccc1
InChIInChI=1S/C26H32N4O4/c1-17-14-22(23(31)30(17)34-16-18-8-6-5-7-9-18)29(25(32)33)19-10-11-21-20(15-19)26(2)12-13-27(3)24(26)28(21)4/h5-11,15,17,22,24H,12-14,16H2,1-4H3,(H,32,33)/t17-,22+,24?,26-/m0/s1
InChIKeyLTUWNODVJUCEBD-KSQARGOASA-N
MW464.57 g/mol
LogP3.66
Rot. Bonds5

About [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid

[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid (PubChem CID 54052356) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid
PubChem CID54052356
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid
SMILESC[C@H]1C[C@@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C(=O)N1OCc1ccccc1
InChIInChI=1S/C26H32N4O4/c1-17-14-22(23(31)30(17)34-16-18-8-6-5-7-9-18)29(25(32)33)19-10-11-21-20(15-19)26(2)12-13-27(3)24(26)28(21)4/h5-11,15,17,22,24H,12-14,16H2,1-4H3,(H,32,33)/t17-,22+,24?,26-/m0/s1
InChIKeyLTUWNODVJUCEBD-KSQARGOASA-N
XLogP3.66
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid (CID 54052356) is [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid is C[C@H]1C[C@@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C(=O)N1OCc1ccccc1.
What is the InChIKey of [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid?
The InChIKey is LTUWNODVJUCEBD-KSQARGOASA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-14-22(23(31)30(17)34-16-18-8-6-5-7-9-18)29(25(32)33)19-10-11-21-20(15-19)26(2)12-13-27(3)24(26)28(21)4/h5-11,15,17,22,24H,12-14,16H2,1-4H3,(H,32,33)/t17-,22+,24?,26-/m0/s1.
What are the key properties of [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid?
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid has a molecular weight of 464.57 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 54052356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).