[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

C17H22N6O4 — CID 8509980

IUPAC[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C17H22N6O4/c1-12(2)20-15(24)9-18-16(25)10-27-17(26)14(23-11-19-21-22-23)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,25)(H,20,24)/t14-/m0/s1
InChIKeyZDGOMLJHTHTWFD-AWEZNQCLSA-N
MW374.40 g/mol
LogP-0.36
Rot. Bonds9

About [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 8509980) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID8509980
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C17H22N6O4/c1-12(2)20-15(24)9-18-16(25)10-27-17(26)14(23-11-19-21-22-23)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,25)(H,20,24)/t14-/m0/s1
InChIKeyZDGOMLJHTHTWFD-AWEZNQCLSA-N
XLogP-0.36
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 8509980) is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is CC(C)NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is ZDGOMLJHTHTWFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-12(2)20-15(24)9-18-16(25)10-27-17(26)14(23-11-19-21-22-23)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,25)(H,20,24)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 374.40 g/mol, XLogP of -0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 8509980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).