(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

C16H19N5O3 — CID 124702735

IUPAC(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O3/c22-14(20-10-4-8-13(20)16(23)24)9-5-11-21-18-15(17-19-21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,23,24)/t13-/m0/s1
InChIKeyZYGMLBBURKBYKJ-ZDUSSCGKSA-N
MW329.36 g/mol
LogP1.20
Rot. Bonds6

About (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 124702735) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID124702735
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O3/c22-14(20-10-4-8-13(20)16(23)24)9-5-11-21-18-15(17-19-21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,23,24)/t13-/m0/s1
InChIKeyZYGMLBBURKBYKJ-ZDUSSCGKSA-N
XLogP1.20
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 86903022
(2S)-1-(4-benzoylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 86735054
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
CID 86902646
1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 86904326

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (CID 124702735) is (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZYGMLBBURKBYKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14(20-10-4-8-13(20)16(23)24)9-5-11-21-18-15(17-19-21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124702735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).