(1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C20H23ClN6O3 — CID 25154221

About (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 25154221) has the molecular formula C20H23ClN6O3 and a molecular weight of 430.90 g/mol. Its IUPAC name is (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

• Compound Name: (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• PubChem CID: 25154221
• Molecular Formula: C20H23ClN6O3
• Molecular Weight: 430.90 g/mol
• Exact Mass: 430.15
• IUPAC Name: (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• SMILES: O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](O)CC1CC1
• InChI: InChI=1S/C20H23ClN6O3/c21-14-3-4-15(26-10-23-24-25-26)13(6-14)9-22-19(29)17-8-12-7-16(12)27(17)20(30)18(28)5-11-1-2-11/h3-4,6,10-12,16-18,28H,1-2,5,7-9H2,(H,22,29)/t12-,16-,17-,18+/m0/s1
• InChIKey: NRTNVZYUQJADMK-GYIHYUDTSA-N
• XLogP: 1.08
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.90
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The IUPAC name of (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 25154221) is (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

What is the SMILES notation for (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The canonical SMILES for (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](O)CC1CC1.

What is the InChIKey of (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The InChIKey is NRTNVZYUQJADMK-GYIHYUDTSA-N. The full InChI is InChI=1S/C20H23ClN6O3/c21-14-3-4-15(26-10-23-24-25-26)13(6-14)9-22-19(29)17-8-12-7-16(12)27(17)20(30)18(28)5-11-1-2-11/h3-4,6,10-12,16-18,28H,1-2,5,7-9H2,(H,22,29)/t12-,16-,17-,18+/m0/s1.

What are the key properties of (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

(1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 430.90 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 25154221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).