(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate

C14H12ClN5O4 — CID 163619946

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate
SMILESO=C(CCc1cc(Cl)ccc1-n1cnnn1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H12ClN5O4/c15-10-2-3-11(19-8-16-17-18-19)9(7-10)1-6-14(23)24-20-12(21)4-5-13(20)22/h2-3,7-8H,1,4-6H2
InChIKeyHNFKHNIOGMFEJR-UHFFFAOYSA-N
MW349.73 g/mol
LogP0.86
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate (PubChem CID 163619946) has the molecular formula C14H12ClN5O4 and a molecular weight of 349.73 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate
PubChem CID163619946
Molecular FormulaC14H12ClN5O4
Molecular Weight349.73 g/mol
Exact Mass349.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate
SMILESO=C(CCc1cc(Cl)ccc1-n1cnnn1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H12ClN5O4/c15-10-2-3-11(19-8-16-17-18-19)9(7-10)1-6-14(23)24-20-12(21)4-5-13(20)22/h2-3,7-8H,1,4-6H2
InChIKeyHNFKHNIOGMFEJR-UHFFFAOYSA-N
XLogP0.86
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-1-[5-chloro-2-(tetrazol-1-yl)phenyl]pentan-3-one
CID 157144853
tert-butyl (2S)-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]azetidine-1-carboxylate
CID 160702453
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
ethyl 3-[5-methyl-2-(tetrazol-1-yl)phenyl]propanoate
CID 66938341
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)prop-2-enoic acid
CID 66743736
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
CID 58287727
1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine
CID 170863355
ethyl 2-[4-[3-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]phenyl]propanoylamino]phenyl]acetate
CID 174614036
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1,2-oxazolidine-3-carboxamide;hydrochloride
CID 66755297
(2S,3R)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methylpyrrolidine-2-carboxamide
CID 90881973
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2-fluorophenyl)-2-hydroxyacetyl]-3,4-dihydropyrazol-3-yl]propan-1-one
CID 58287722

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate (CID 163619946) is (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate is O=C(CCc1cc(Cl)ccc1-n1cnnn1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate?
The InChIKey is HNFKHNIOGMFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O4/c15-10-2-3-11(19-8-16-17-18-19)9(7-10)1-6-14(23)24-20-12(21)4-5-13(20)22/h2-3,7-8H,1,4-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate has a molecular weight of 349.73 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate is sourced from PubChem (CID 163619946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).