1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid

C14H17N5O2 — CID 65066522

IUPAC1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1cccc(-n2cnnn2)c1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H17N5O2/c1-10(18-6-5-12(8-18)14(20)21)11-3-2-4-13(7-11)19-9-15-16-17-19/h2-4,7,9-10,12H,5-6,8H2,1H3,(H,20,21)
InChIKeyMYRORVDWYASITB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.13
Rot. Bonds4

About 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid

1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65066522) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65066522
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1cccc(-n2cnnn2)c1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H17N5O2/c1-10(18-6-5-12(8-18)14(20)21)11-3-2-4-13(7-11)19-9-15-16-17-19/h2-4,7,9-10,12H,5-6,8H2,1H3,(H,20,21)
InChIKeyMYRORVDWYASITB-UHFFFAOYSA-N
XLogP1.13
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
CID 62536344
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
CID 65244795
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
(3S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 125147860
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid
CID 123651406
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid (CID 65066522) is 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid is CC(c1cccc(-n2cnnn2)c1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MYRORVDWYASITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10(18-6-5-12(8-18)14(20)21)11-3-2-4-13(7-11)19-9-15-16-17-19/h2-4,7,9-10,12H,5-6,8H2,1H3,(H,20,21).
What are the key properties of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid?
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).