N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide

C17H22N6O2 — CID 164615313

IUPACN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c1-12(18-15(24)10-9-13-6-3-2-4-7-13)17(25)23-11-5-8-14(23)16-19-21-22-20-16/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,24)(H,19,20,21,22)/t12-,14-/m0/s1
InChIKeyUOHAXFNEHSVCLY-JSGCOSHPSA-N
MW342.40 g/mol
LogP1.00
Rot. Bonds6

About N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide

N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide (PubChem CID 164615313) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide
PubChem CID164615313
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c1-12(18-15(24)10-9-13-6-3-2-4-7-13)17(25)23-11-5-8-14(23)16-19-21-22-20-16/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,24)(H,19,20,21,22)/t12-,14-/m0/s1
InChIKeyUOHAXFNEHSVCLY-JSGCOSHPSA-N
XLogP1.00
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(1H-1,2,3,4-tetrazol-5-yl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895758
N,N-dimethyl-5-((7-phenylheptanamido)methyl)-2H-tetrazole-2-carboxamide
CID 24795575
N,N-dimethyl-5-((7-phenyloctanamido)methyl)-2H-tetrazole-2-carboxamide
CID 24796129
(2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]-N-[4-(2H-tetrazol-5-yl)butyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 49796942
4-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 155518457
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
CID 155545102
5-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]pentan-1-one
CID 164610922
3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 164617109
(2S)-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-N-[(E,3S)-4-methyl-1-(2H-tetrazol-5-yl)pent-1-en-3-yl]butanamide
CID 11684466
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(2H-tetrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 167188099
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
CID 164627685
2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide
CID 14978584

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide (CID 164615313) is N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide is C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide?
The InChIKey is UOHAXFNEHSVCLY-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(18-15(24)10-9-13-6-3-2-4-7-13)17(25)23-11-5-8-14(23)16-19-21-22-20-16/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,24)(H,19,20,21,22)/t12-,14-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide?
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 164615313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).