(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

C12H11N5O3 — CID 51893801

IUPAC(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C12H11N5O3/c18-11-5-8(12(19)20)6-16(11)9-1-3-10(4-2-9)17-7-13-14-15-17/h1-4,7-8H,5-6H2,(H,19,20)/t8-/m0/s1
InChIKeyZWXAUOPVLZQNMG-QMMMGPOBSA-N
MW273.25 g/mol
LogP0.10
Rot. Bonds3

About (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 51893801) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID51893801
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C12H11N5O3/c18-11-5-8(12(19)20)6-16(11)9-1-3-10(4-2-9)17-7-13-14-15-17/h1-4,7-8H,5-6H2,(H,19,20)/t8-/m0/s1
InChIKeyZWXAUOPVLZQNMG-QMMMGPOBSA-N
XLogP0.10
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
5-oxo-N-[4-(tetrazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 56777819
(3S)-5-oxo-N-[4-(tetrazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92766158
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 134043998
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 51893801) is (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZWXAUOPVLZQNMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N5O3/c18-11-5-8(12(19)20)6-16(11)9-1-3-10(4-2-9)17-7-13-14-15-17/h1-4,7-8H,5-6H2,(H,19,20)/t8-/m0/s1.
What are the key properties of (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51893801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).