[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate

C16H17N5O4 — CID 135818910

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESO=C(OCC(=O)N1CCCC1=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H17N5O4/c22-14-7-4-8-20(14)15(23)10-25-16(24)13(21-11-17-18-19-21)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyCCKVBNHUDJSAHF-CYBMUJFWSA-N
MW343.34 g/mol
LogP0.15
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 135818910) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID135818910
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESO=C(OCC(=O)N1CCCC1=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H17N5O4/c22-14-7-4-8-20(14)15(23)10-25-16(24)13(21-11-17-18-19-21)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyCCKVBNHUDJSAHF-CYBMUJFWSA-N
XLogP0.15
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 135752788
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509988
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509980
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509935
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509646
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509878
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 23375160
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylpropanoic acid
CID 60794331
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7579776

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 135818910) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate is O=C(OCC(=O)N1CCCC1=O)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is CCKVBNHUDJSAHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O4/c22-14-7-4-8-20(14)15(23)10-25-16(24)13(21-11-17-18-19-21)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 343.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 135818910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).