[(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

C19H26N4O4 — CID 70205881

IUPAC[(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
SMILESCC1CC(N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)C(=O)N1O
InChIInChI=1S/C19H26N4O4/c1-11-9-15(16(24)23(11)27)22(18(25)26)12-5-6-14-13(10-12)19(2)7-8-20(3)17(19)21(14)4/h5-6,10-11,15,17,27H,7-9H2,1-4H3,(H,25,26)/t11?,15?,17-,19+/m1/s1
InChIKeyVAGMZOSHWQHXAB-SHZZVKKISA-N
MW374.44 g/mol
LogP1.92
Rot. Bonds2

About [(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

[(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 (PubChem CID 70205881) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID70205881
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name[(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
SMILESCC1CC(N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)C(=O)N1O
InChIInChI=1S/C19H26N4O4/c1-11-9-15(16(24)23(11)27)22(18(25)26)12-5-6-14-13(10-12)19(2)7-8-20(3)17(19)21(14)4/h5-6,10-11,15,17,27H,7-9H2,1-4H3,(H,25,26)/t11?,15?,17-,19+/m1/s1
InChIKeyVAGMZOSHWQHXAB-SHZZVKKISA-N
XLogP1.92
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2S,3aR,8bR)-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-[(2S)-pyrrolidine-2-carbonyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carbonyl]amino]propanoic acid
CID 56683462
(1R,4S,10S,12R)-12,19-bis(3-methylbut-2-enyl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
CID 10938687
(1S,4S,10S,12S)-12,19-bis(3-methylbut-2-enyl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
CID 10971837
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-3-oxo-1,2-oxazolidin-4-yl]carbamic acid
CID 53704202
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]carbamic acid
CID 53739663
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R,5S)-5-methyl-2-oxo-1-(2-phenylethoxy)pyrrolidin-3-yl]carbamic acid
CID 53750813
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R)-1-methoxy-2-oxopyrrolidin-3-yl]carbamic acid
CID 53758320
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R)-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid
CID 53875120
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]carbamic acid
CID 54030108
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl]-[(3R)-2-oxo-1-phenylmethoxypyrrolidin-3-yl]carbamic acid
CID 54034989
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]-[(3R)-2-oxo-1-(2-phenylethoxy)pyrrolidin-3-yl]carbamic acid
CID 54047377
[(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

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]-(1-hydroxy-5-methyl-2-oxopyrrolidin-3-yl)carbamic acid?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1CC(N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3C)C(=O)N1O.
What is the InChIKey of [(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?
The InChIKey is VAGMZOSHWQHXAB-SHZZVKKISA-N. The full InChI is InChI=1S/C19H26N4O4/c1-11-9-15(16(24)23(11)27)22(18(25)26)12-5-6-14-13(10-12)19(2)7-8-20(3)17(19)21(14)4/h5-6,10-11,15,17,27H,7-9H2,1-4H3,(H,25,26)/t11?,15?,17-,19+/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]-(1-hydroxy-5-methyl-2-oxopyrrolidin-3-yl)carbamic acid?
[(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 has a molecular weight of 374.44 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 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]-(1-hydroxy-5-methyl-2-oxopyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 70205881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).