(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide

C15H28N4O4 — CID 57017032

IUPAC(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide
SMILESCNC(=O)[C@H]1CCCNN1C(=O)[C@@H](CC(C)C)[C@@H](C)C(=O)NO
InChIInChI=1S/C15H28N4O4/c1-9(2)8-11(10(3)13(20)18-23)15(22)19-12(14(21)16-4)6-5-7-17-19/h9-12,17,23H,5-8H2,1-4H3,(H,16,21)(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyOZXWOPIPFLIZIC-GRYCIOLGSA-N
MW328.41 g/mol
LogP0.03
Rot. Bonds6

About (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide

(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide (PubChem CID 57017032) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide
PubChem CID57017032
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide
SMILESCNC(=O)[C@H]1CCCNN1C(=O)[C@@H](CC(C)C)[C@@H](C)C(=O)NO
InChIInChI=1S/C15H28N4O4/c1-9(2)8-11(10(3)13(20)18-23)15(22)19-12(14(21)16-4)6-5-7-17-19/h9-12,17,23H,5-8H2,1-4H3,(H,16,21)(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyOZXWOPIPFLIZIC-GRYCIOLGSA-N
XLogP0.03
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[6-(methylcarbamoyl)diazinane-1-carbonyl]-6-(2-phenylphenyl)hexanoic acid
CID 67806528
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520292
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
CID 10433388
(3R)-2-[(2S)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4S)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
CID 162906474
2-[(2S)-2-[(1R)-1-chloro-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 25177344
1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 79408269
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
tert-butyl N-[(2S)-1-[(2R,5S)-2-tert-butyl-5-(methylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10787008

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide?
The IUPAC name of (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide (CID 57017032) is (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide.
What is the SMILES notation for (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide?
The canonical SMILES for (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide is CNC(=O)[C@H]1CCCNN1C(=O)[C@@H](CC(C)C)[C@@H](C)C(=O)NO.
What is the InChIKey of (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide?
The InChIKey is OZXWOPIPFLIZIC-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-9(2)8-11(10(3)13(20)18-23)15(22)19-12(14(21)16-4)6-5-7-17-19/h9-12,17,23H,5-8H2,1-4H3,(H,16,21)(H,18,20)/t10-,11+,12-/m1/s1.
What are the key properties of (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide?
(3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(2S)-2-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]-N-methyldiazinane-3-carboxamide is sourced from PubChem (CID 57017032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).