(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide

C22H40N4O5 — CID 10433388

IUPAC(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
SMILESCCCCC[C@@H](CC(=O)NO)C(=O)N1NCCC[C@@H]1C(=O)N[C@@H](C(=O)CC)[C@H](C)CC
InChIInChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(28)25-31)22(30)26-17(12-10-13-23-26)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,23,31H,5-14H2,1-4H3,(H,24,29)(H,25,28)/t15-,16+,17-,20-/m1/s1
InChIKeyIWWYEUSBHSDVOX-AXVVYFOYSA-N
MW440.59 g/mol
LogP2.08
Rot. Bonds13

About (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide

(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide (PubChem CID 10433388) has the molecular formula C22H40N4O5 and a molecular weight of 440.59 g/mol. Its IUPAC name is (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
PubChem CID10433388
Molecular FormulaC22H40N4O5
Molecular Weight440.59 g/mol
Exact Mass440.30
IUPAC Name(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
SMILESCCCCC[C@@H](CC(=O)NO)C(=O)N1NCCC[C@@H]1C(=O)N[C@@H](C(=O)CC)[C@H](C)CC
InChIInChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(28)25-31)22(30)26-17(12-10-13-23-26)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,23,31H,5-14H2,1-4H3,(H,24,29)(H,25,28)/t15-,16+,17-,20-/m1/s1
InChIKeyIWWYEUSBHSDVOX-AXVVYFOYSA-N
XLogP2.08
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4S)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
CID 162906474
(5S)-1-[(1S,2R)-1-[[(3S)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-2-methylbutyl]-1,2,3,5,6,7,8,9-octahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylate
CID 162802840
4-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]piperazine-1-carboxamide
CID 54414517
(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
CID 142133700
tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
CID 23520236
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520196
(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
(2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-piperazin-1-ylpiperazine-1-carboxamide
CID 54409944
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'-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
CID 159169934
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-pentylbutanediamide
CID 10111557

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide?
The IUPAC name of (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide (CID 10433388) is (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide.
What is the SMILES notation for (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide?
The canonical SMILES for (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide is CCCCC[C@@H](CC(=O)NO)C(=O)N1NCCC[C@@H]1C(=O)N[C@@H](C(=O)CC)[C@H](C)CC.
What is the InChIKey of (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide?
The InChIKey is IWWYEUSBHSDVOX-AXVVYFOYSA-N. The full InChI is InChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(28)25-31)22(30)26-17(12-10-13-23-26)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,23,31H,5-14H2,1-4H3,(H,24,29)(H,25,28)/t15-,16+,17-,20-/m1/s1.
What are the key properties of (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide?
(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.08, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide is sourced from PubChem (CID 10433388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).