(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C19H29N5O3 — CID 170191460

IUPAC(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(C1CCCCC1)n1cc(C2CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-20-18(26)16-9-14(25)10-23(16)19(27)17(13-5-3-2-4-6-13)24-11-15(21-22-24)12-7-8-12/h11-14,16-17,25H,2-10H2,1H3,(H,20,26)/t14-,16+,17?/m1/s1
InChIKeyDPUCAEZMSVQIIO-UMFITKPXSA-N
MW375.47 g/mol
LogP0.98
Rot. Bonds5

About (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 170191460) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID170191460
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(C1CCCCC1)n1cc(C2CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-20-18(26)16-9-14(25)10-23(16)19(27)17(13-5-3-2-4-6-13)24-11-15(21-22-24)12-7-8-12/h11-14,16-17,25H,2-10H2,1H3,(H,20,26)/t14-,16+,17?/m1/s1
InChIKeyDPUCAEZMSVQIIO-UMFITKPXSA-N
XLogP0.98
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-1-[2-(1-acetylpiperidin-4-yl)-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 170191470
1-[2-(4-cyclopentyltriazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 163302859
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 146150903
(2S,4R)-N-[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-1-[2-cyclobutyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170425257
methyl 4-[1-[(2S)-1-[(2S,4R)-4-hydroxy-2-(methylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexane-1-carboxylate
CID 169068898
1-[(2S)-2-[4-(4,4-difluorocyclohexyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175465994
N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069064
(2S,4R)-N-(4-carbamoylcyclohexyl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163387065
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175445039
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 175466060
(2S)-2-(4-cyclopentyltriazol-1-yl)-1-[(2S,4R)-4-hydroxy-2-propanoylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 170191378
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069046

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 170191460) is (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(C1CCCCC1)n1cc(C2CC2)nn1.
What is the InChIKey of (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DPUCAEZMSVQIIO-UMFITKPXSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-20-18(26)16-9-14(25)10-23(16)19(27)17(13-5-3-2-4-6-13)24-11-15(21-22-24)12-7-8-12/h11-14,16-17,25H,2-10H2,1H3,(H,20,26)/t14-,16+,17?/m1/s1.
What are the key properties of (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-cyclohexyl-2-(4-cyclopropyltriazol-1-yl)acetyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 170191460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).