(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide

C18H31N3O4 — CID 142133700

IUPAC(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
SMILESCCCCCC(CC(=O)NO)C(=O)N1CCC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H31N3O4/c1-2-3-4-8-14(13-16(22)19-25)17(23)21-12-7-9-15(21)18(24)20-10-5-6-11-20/h14-15,25H,2-13H2,1H3,(H,19,22)/t14?,15-/m1/s1
InChIKeyLQRCEYJTFUFROL-YSSOQSIOSA-N
MW353.46 g/mol
LogP1.69
Rot. Bonds8

About (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide

(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide (PubChem CID 142133700) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
PubChem CID142133700
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
SMILESCCCCCC(CC(=O)NO)C(=O)N1CCC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H31N3O4/c1-2-3-4-8-14(13-16(22)19-25)17(23)21-12-7-9-15(21)18(24)20-10-5-6-11-20/h14-15,25H,2-13H2,1H3,(H,19,22)/t14?,15-/m1/s1
InChIKeyLQRCEYJTFUFROL-YSSOQSIOSA-N
XLogP1.69
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
CID 23520236
(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520196
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520223
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
tert-butyl (2S)-1-[(2R)-2-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]heptanoyl]pyrrolidine-2-carboxylate
CID 10766846
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
CID 10111557
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide?
The IUPAC name of (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide (CID 142133700) is (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide.
What is the SMILES notation for (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide?
The canonical SMILES for (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide is CCCCCC(CC(=O)NO)C(=O)N1CCC[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide?
The InChIKey is LQRCEYJTFUFROL-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-2-3-4-8-14(13-16(22)19-25)17(23)21-12-7-9-15(21)18(24)20-10-5-6-11-20/h14-15,25H,2-13H2,1H3,(H,19,22)/t14?,15-/m1/s1.
What are the key properties of (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide?
(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide has a molecular weight of 353.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide is sourced from PubChem (CID 142133700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).