N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide

C19H26N6O2 — CID 164627685

IUPACN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
SMILESC[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-21-23-24-22-18)20-17(26)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,20,26)(H,21,22,23,24)/t14-,16-/m0/s1
InChIKeyGQWICNVHPKGCLV-HOCLYGCPSA-N
MW370.46 g/mol
LogP1.78
Rot. Bonds8

About N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide

N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide (PubChem CID 164627685) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
PubChem CID164627685
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
SMILESC[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-21-23-24-22-18)20-17(26)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,20,26)(H,21,22,23,24)/t14-,16-/m0/s1
InChIKeyGQWICNVHPKGCLV-HOCLYGCPSA-N
XLogP1.78
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide (CID 164627685) is N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide is C[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide?
The InChIKey is GQWICNVHPKGCLV-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-21-23-24-22-18)20-17(26)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,20,26)(H,21,22,23,24)/t14-,16-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide?
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide has a molecular weight of 370.46 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide is sourced from PubChem (CID 164627685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).