[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

C15H15N5O3 — CID 8509935

IUPAC[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESC#CCNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H15N5O3/c1-2-8-16-14(21)10-23-15(22)13(20-11-17-18-19-20)9-12-6-4-3-5-7-12/h1,3-7,11,13H,8-10H2,(H,16,21)/t13-/m0/s1
InChIKeyYYMLAKAPILSRHN-ZDUSSCGKSA-N
MW313.32 g/mol
LogP-0.25
Rot. Bonds7

About [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 8509935) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID8509935
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESC#CCNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H15N5O3/c1-2-8-16-14(21)10-23-15(22)13(20-11-17-18-19-20)9-12-6-4-3-5-7-12/h1,3-7,11,13H,8-10H2,(H,16,21)/t13-/m0/s1
InChIKeyYYMLAKAPILSRHN-ZDUSSCGKSA-N
XLogP-0.25
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate 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 [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 8509935) is [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is C#CCNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is YYMLAKAPILSRHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-8-16-14(21)10-23-15(22)13(20-11-17-18-19-20)9-12-6-4-3-5-7-12/h1,3-7,11,13H,8-10H2,(H,16,21)/t13-/m0/s1.
What are the key properties of [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 313.32 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 8509935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).