5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride

C16H24ClN5O2 — CID 140558198

About 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride

5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride (PubChem CID 140558198) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride
• PubChem CID: 140558198
• Molecular Formula: C16H24ClN5O2
• Molecular Weight: 353.85 g/mol
• Exact Mass: 353.16
• IUPAC Name: 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride
• SMILES: CC1C2=C(CC(NCC(=O)N3CCC[C@H]3C#N)C2)CN1C(N)=O.Cl
• InChI: InChI=1S/C16H23N5O2.ClH/c1-10-14-6-12(5-11(14)9-21(10)16(18)23)19-8-15(22)20-4-2-3-13(20)7-17;/h10,12-13,19H,2-6,8-9H2,1H3,(H2,18,23);1H/t10?,12?,13-;/m0./s1
• InChIKey: GLXDYORCVUZEQQ-PBJYHTESSA-N
• XLogP: 0.75
• TPSA: 102.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.85
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride?

The IUPAC name of 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride (CID 140558198) is 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride?

The canonical SMILES for 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride is CC1C2=C(CC(NCC(=O)N3CCC[C@H]3C#N)C2)CN1C(N)=O.Cl.

What is the InChIKey of 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride?

The InChIKey is GLXDYORCVUZEQQ-PBJYHTESSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-10-14-6-12(5-11(14)9-21(10)16(18)23)19-8-15(22)20-4-2-3-13(20)7-17;/h10,12-13,19H,2-6,8-9H2,1H3,(H2,18,23);1H/t10?,12?,13-;/m0./s1.

What are the key properties of 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride?

5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 140558198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).