[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C19H23N3O3 — CID 99564790

IUPAC[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESNC(=O)N1CCC[C@H]1COC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H23N3O3/c20-19(24)22-10-4-5-12(22)11-25-18(23)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3,7-8,12,21H,1-2,4-6,9-11H2,(H2,20,24)/t12-/m0/s1
InChIKeyXEXLISBNEYFYBC-LBPRGKRZSA-N
MW341.41 g/mol
LogP2.75
Rot. Bonds3

About [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 99564790) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID99564790
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESNC(=O)N1CCC[C@H]1COC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H23N3O3/c20-19(24)22-10-4-5-12(22)11-25-18(23)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3,7-8,12,21H,1-2,4-6,9-11H2,(H2,20,24)/t12-/m0/s1
InChIKeyXEXLISBNEYFYBC-LBPRGKRZSA-N
XLogP2.75
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate 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

[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564791
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
(1-carbamoylpyrrolidin-2-yl)methyl 3-bromobenzoate
CID 71987943
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 99812799
3-(1-methylpyrazol-4-yl)propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 56799241
(1,1-dioxothian-3-yl) 5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylate
CID 102559253
(1-carbamoylpyrrolidin-2-yl)methyl 5-acetyl-2,6-dimethylpyridine-3-carboxylate
CID 86801458
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 146090949
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate
CID 96502541
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 99564790) is [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is NC(=O)N1CCC[C@H]1COC(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is XEXLISBNEYFYBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-19(24)22-10-4-5-12(22)11-25-18(23)15-8-3-7-14-13-6-1-2-9-16(13)21-17(14)15/h3,7-8,12,21H,1-2,4-6,9-11H2,(H2,20,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 99564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).