(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide

C20H37N3O5 — CID 10111557

IUPAC(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
SMILESCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C20H37N3O5/c1-4-5-6-8-15(12-18(25)22-28)19(26)21-17(11-14(2)3)20(27)23-10-7-9-16(23)13-24/h14-17,24,28H,4-13H2,1-3H3,(H,21,26)(H,22,25)/t15-,16+,17+/m1/s1
InChIKeyBPSDRPHIGGBGBO-IKGGRYGDSA-N
MW399.53 g/mol
LogP1.59
Rot. Bonds12

About (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide

(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide (PubChem CID 10111557) has the molecular formula C20H37N3O5 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
PubChem CID10111557
Molecular FormulaC20H37N3O5
Molecular Weight399.53 g/mol
Exact Mass399.27
IUPAC Name(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
SMILESCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C20H37N3O5/c1-4-5-6-8-15(12-18(25)22-28)19(26)21-17(11-14(2)3)20(27)23-10-7-9-16(23)13-24/h14-17,24,28H,4-13H2,1-3H3,(H,21,26)(H,22,25)/t15-,16+,17+/m1/s1
InChIKeyBPSDRPHIGGBGBO-IKGGRYGDSA-N
XLogP1.59
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
CID 135581525
N'-hydroxy-N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
CID 159169934
N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
CID 59891434
N'-hydroxy-N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide;(2R)-N'-hydroxy-N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
CID 159169935
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N'-nitroso-2-pentylbutanediamide
CID 139514955
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 20779383
(2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 24851027
(2R)-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N'-[(4-nitrophenyl)methyl]-2-pentylbutanediamide
CID 10302846
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
CID 142133700
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldecane-1,3-dione
CID 11300577

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide (CID 10111557) is (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide is CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide?
The InChIKey is BPSDRPHIGGBGBO-IKGGRYGDSA-N. The full InChI is InChI=1S/C20H37N3O5/c1-4-5-6-8-15(12-18(25)22-28)19(26)21-17(11-14(2)3)20(27)23-10-7-9-16(23)13-24/h14-17,24,28H,4-13H2,1-3H3,(H,21,26)(H,22,25)/t15-,16+,17+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide?
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide has a molecular weight of 399.53 g/mol, XLogP of 1.59, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide is sourced from PubChem (CID 10111557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).