ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate

C21H27N3O3 — CID 101271830

IUPACethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c3c(c12)CC([C@H](N)C(=O)N1CCCC1)CC3
InChIInChI=1S/C21H27N3O3/c1-2-27-21(26)14-6-5-7-17-18(14)15-12-13(8-9-16(15)23-17)19(22)20(25)24-10-3-4-11-24/h5-7,13,19,23H,2-4,8-12,22H2,1H3/t13?,19-/m0/s1
InChIKeyXFDHEVGSPKUPNE-YFKXAPIDSA-N
MW369.47 g/mol
LogP2.40
Rot. Bonds4

About ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate

ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate (PubChem CID 101271830) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate
PubChem CID101271830
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nameethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c3c(c12)CC([C@H](N)C(=O)N1CCCC1)CC3
InChIInChI=1S/C21H27N3O3/c1-2-27-21(26)14-6-5-7-17-18(14)15-12-13(8-9-16(15)23-17)19(22)20(25)24-10-3-4-11-24/h5-7,13,19,23H,2-4,8-12,22H2,1H3/t13?,19-/m0/s1
InChIKeyXFDHEVGSPKUPNE-YFKXAPIDSA-N
XLogP2.40
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate?
The IUPAC name of ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate (CID 101271830) is ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate.
What is the SMILES notation for ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate?
The canonical SMILES for ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate is CCOC(=O)c1cccc2[nH]c3c(c12)CC([C@H](N)C(=O)N1CCCC1)CC3.
What is the InChIKey of ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate?
The InChIKey is XFDHEVGSPKUPNE-YFKXAPIDSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-27-21(26)14-6-5-7-17-18(14)15-12-13(8-9-16(15)23-17)19(22)20(25)24-10-3-4-11-24/h5-7,13,19,23H,2-4,8-12,22H2,1H3/t13?,19-/m0/s1.
What are the key properties of ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate?
ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate is sourced from PubChem (CID 101271830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).