[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid

C24H28N4O5 — CID 70208565

IUPAC[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid
SMILESCN1CC[C@@]2(C)c3cc(N(C(=O)O)[C@@H]4CON(OCc5ccccc5)C4=O)ccc3N(C)[C@@H]12
InChIInChI=1S/C24H28N4O5/c1-24-11-12-25(2)22(24)26(3)19-10-9-17(13-18(19)24)27(23(30)31)20-15-33-28(21(20)29)32-14-16-7-5-4-6-8-16/h4-10,13,20,22H,11-12,14-15H2,1-3H3,(H,30,31)/t20-,22-,24+/m1/s1
InChIKeyUXVQYOKFZOVFRY-BKULYWANSA-N
MW452.51 g/mol
LogP2.81
Rot. Bonds5

About [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid

[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid (PubChem CID 70208565) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid
PubChem CID70208565
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid
SMILESCN1CC[C@@]2(C)c3cc(N(C(=O)O)[C@@H]4CON(OCc5ccccc5)C4=O)ccc3N(C)[C@@H]12
InChIInChI=1S/C24H28N4O5/c1-24-11-12-25(2)22(24)26(3)19-10-9-17(13-18(19)24)27(23(30)31)20-15-33-28(21(20)29)32-14-16-7-5-4-6-8-16/h4-10,13,20,22H,11-12,14-15H2,1-3H3,(H,30,31)/t20-,22-,24+/m1/s1
InChIKeyUXVQYOKFZOVFRY-BKULYWANSA-N
XLogP2.81
TPSA85.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[5-methyl-2-oxo-1-(2-phenylethoxy)pyrrolidin-3-yl]carbamic acid
CID 70202745
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-(1-hydroxy-5-methyl-2-oxopyrrolidin-3-yl)carbamic acid
CID 70205881
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3S,4S)-1-methoxy-4-methyl-2-oxopyrrolidin-3-yl]carbamic acid
CID 70205151
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-benzyl-N-(benzylcarbamoyl)carbamate
CID 612651
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-phenylmethoxyphenyl)carbamate
CID 10503416
[[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-heptylamino]carbamic acid
CID 67695448
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) 2-(2-methylphenyl)acetate
CID 58575705
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-ethylcarbamate
CID 11392125
3-benzyl-7-ethoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 77387551
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] (3-methylphenyl) carbonate
CID 67795464

Frequently Asked Questions

What is the IUPAC name of [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid?
The IUPAC name of [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid (CID 70208565) is [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid.
What is the SMILES notation for [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid?
The canonical SMILES for [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid is CN1CC[C@@]2(C)c3cc(N(C(=O)O)[C@@H]4CON(OCc5ccccc5)C4=O)ccc3N(C)[C@@H]12.
What is the InChIKey of [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid?
The InChIKey is UXVQYOKFZOVFRY-BKULYWANSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-24-11-12-25(2)22(24)26(3)19-10-9-17(13-18(19)24)27(23(30)31)20-15-33-28(21(20)29)32-14-16-7-5-4-6-8-16/h4-10,13,20,22H,11-12,14-15H2,1-3H3,(H,30,31)/t20-,22-,24+/m1/s1.
What are the key properties of [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid?
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid has a molecular weight of 452.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-2-phenylmethoxy-1,2-oxazolidin-4-yl]carbamic acid is sourced from PubChem (CID 70208565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).