N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

C19H23N5O3 — CID 169006012

IUPACN-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(O)CN1C(=O)Cn1cc(C2CC2)nn1
InChIInChI=1S/C19H23N5O3/c25-15-8-17(19(27)20-9-13-4-2-1-3-5-13)24(10-15)18(26)12-23-11-16(21-22-23)14-6-7-14/h1-5,11,14-15,17,25H,6-10,12H2,(H,20,27)
InChIKeyLGSMDCSZQJMXTA-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.43
Rot. Bonds6

About N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 169006012) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID169006012
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(O)CN1C(=O)Cn1cc(C2CC2)nn1
InChIInChI=1S/C19H23N5O3/c25-15-8-17(19(27)20-9-13-4-2-1-3-5-13)24(10-15)18(26)12-23-11-16(21-22-23)14-6-7-14/h1-5,11,14-15,17,25H,6-10,12H2,(H,20,27)
InChIKeyLGSMDCSZQJMXTA-UHFFFAOYSA-N
XLogP0.43
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2R)-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371665
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 169101550
(2S,4S)-1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459973
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459499
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(4-methyl-3-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146151112
(2S,4S)-2-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443681
2-(4-cyclopropyltriazol-1-yl)-1-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone
CID 97097760
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 123974612
(2S,4R)-N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146151266
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-[3-(hydroxymethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 123563649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (CID 169006012) is N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CC(O)CN1C(=O)Cn1cc(C2CC2)nn1.
What is the InChIKey of N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LGSMDCSZQJMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-15-8-17(19(27)20-9-13-4-2-1-3-5-13)24(10-15)18(26)12-23-11-16(21-22-23)14-6-7-14/h1-5,11,14-15,17,25H,6-10,12H2,(H,20,27).
What are the key properties of N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 169006012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).