4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride

About 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride (PubChem CID 167424819) has the molecular formula C23H36ClN5O4 and a molecular weight of 482.03 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name	4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride
PubChem CID	167424819
Molecular Formula	C23H36ClN5O4
Molecular Weight	482.03 g/mol
Exact Mass	481.25
IUPAC Name	4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride
SMILES	CC(C)(C)[C@H](N)C(=O)N1CC2C3C=CC(C3)C2C1(C(N)=O)[C@H](C[C@H]1CCNC1=O)C(N)=O.Cl
InChI	InChI=1S/C23H35N5O4.ClH/c1-22(2,3)17(24)20(31)28-10-14-11-4-5-12(8-11)16(14)23(28,21(26)32)15(18(25)29)9-13-6-7-27-19(13)30;/h4-5,11-17H,6-10,24H2,1-3H3,(H2,25,29)(H2,26,32)(H,27,30);1H/t11?,12?,13-,14?,15-,16?,17-,23?;/m1./s1
InChIKey	DBATZZGYLKZRDG-VZPXRUBUSA-N
XLogP	-0.09
TPSA	161.61 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.03
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride?

The IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride (CID 167424819) is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride.

What is the SMILES notation for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride?

The canonical SMILES for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)N1CC2C3C=CC(C3)C2C1(C(N)=O)[C@H](C[C@H]1CCNC1=O)C(N)=O.Cl.

What is the InChIKey of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride?

The InChIKey is DBATZZGYLKZRDG-VZPXRUBUSA-N. The full InChI is InChI=1S/C23H35N5O4.ClH/c1-22(2,3)17(24)20(31)28-10-14-11-4-5-12(8-11)16(14)23(28,21(26)32)15(18(25)29)9-13-6-7-27-19(13)30;/h4-5,11-17H,6-10,24H2,1-3H3,(H2,25,29)(H2,26,32)(H,27,30);1H/t11?,12?,13-,14?,15-,16?,17-,23?;/m1./s1.

What are the key properties of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride?

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride has a molecular weight of 482.03 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide;hydrochloride is sourced from PubChem (CID 167424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).