[(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

C20H28N4O4 — CID 70205151

IUPAC[(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
SMILESCON1C[C@H](C)[C@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C1=O
InChIInChI=1S/C20H28N4O4/c1-12-11-23(28-5)17(25)16(12)24(19(26)27)13-6-7-15-14(10-13)20(2)8-9-21(3)18(20)22(15)4/h6-7,10,12,16,18H,8-9,11H2,1-5H3,(H,26,27)/t12-,16-,18?,20-/m0/s1
InChIKeyWQAVXWZINPDCSW-YUPPNZSBSA-N
MW388.47 g/mol
LogP1.95
Rot. Bonds3

About [(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

[(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 (PubChem CID 70205151) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID70205151
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name[(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
SMILESCON1C[C@H](C)[C@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C1=O
InChIInChI=1S/C20H28N4O4/c1-12-11-23(28-5)17(25)16(12)24(19(26)27)13-6-7-15-14(10-13)20(2)8-9-21(3)18(20)22(15)4/h6-7,10,12,16,18H,8-9,11H2,1-5H3,(H,26,27)/t12-,16-,18?,20-/m0/s1
InChIKeyWQAVXWZINPDCSW-YUPPNZSBSA-N
XLogP1.95
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.95
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]-[(3S,4S)-1-methoxy-4-methyl-2-oxopyrrolidin-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]-[(3S,4S)-1-methoxy-4-methyl-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CON1C[C@H](C)[C@H](N(C(=O)O)c2ccc3c(c2)[C@]2(C)CCN(C)C2N3C)C1=O.
What is the InChIKey of [(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?
The InChIKey is WQAVXWZINPDCSW-YUPPNZSBSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12-11-23(28-5)17(25)16(12)24(19(26)27)13-6-7-15-14(10-13)20(2)8-9-21(3)18(20)22(15)4/h6-7,10,12,16,18H,8-9,11H2,1-5H3,(H,26,27)/t12-,16-,18?,20-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 388.47 g/mol, XLogP of 1.95, 3 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]-[(3S,4S)-1-methoxy-4-methyl-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 70205151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).