(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C16H21N7O2 — CID 122137912

IUPAC(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H21N7O2/c1-10(2)17-16(25)23-9-3-4-13(23)15(24)18-12-7-5-11(6-8-12)14-19-21-22-20-14/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,25)(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyGWLANPOAABMFHN-ZDUSSCGKSA-N
MW343.39 g/mol
LogP1.39
Rot. Bonds4

About (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 122137912) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID122137912
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H21N7O2/c1-10(2)17-16(25)23-9-3-4-13(23)15(24)18-12-7-5-11(6-8-12)14-19-21-22-20-14/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,25)(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyGWLANPOAABMFHN-ZDUSSCGKSA-N
XLogP1.39
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 172695926
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 166336725
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118089714
2-[2-chloro-4-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 120531964
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 120566139
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 122137912) is (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is GWLANPOAABMFHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-10(2)17-16(25)23-9-3-4-13(23)15(24)18-12-7-5-11(6-8-12)14-19-21-22-20-14/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,25)(H,18,24)(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 122137912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).