(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide

C22H24N6O2 — CID 7998981

IUPAC(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O
InChIInChI=1S/C22H24N6O2/c1-3-15(2)19-6-4-5-7-20(19)27-13-16(12-21(27)29)22(30)24-17-8-10-18(11-9-17)28-14-23-25-26-28/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,30)/t15-,16+/m1/s1
InChIKeyCCNPOJSKXBOUBY-CVEARBPZSA-N
MW404.47 g/mol
LogP3.17
Rot. Bonds6

About (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide

(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 7998981) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID7998981
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O
InChIInChI=1S/C22H24N6O2/c1-3-15(2)19-6-4-5-7-20(19)27-13-16(12-21(27)29)22(30)24-17-8-10-18(11-9-17)28-14-23-25-26-28/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,30)/t15-,16+/m1/s1
InChIKeyCCNPOJSKXBOUBY-CVEARBPZSA-N
XLogP3.17
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
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CID 55497364
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8891763
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186644
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 7998981) is (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide is CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O.
What is the InChIKey of (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CCNPOJSKXBOUBY-CVEARBPZSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-3-15(2)19-6-4-5-7-20(19)27-13-16(12-21(27)29)22(30)24-17-8-10-18(11-9-17)28-14-23-25-26-28/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,30)/t15-,16+/m1/s1.
What are the key properties of (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7998981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).