2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O6 — CID 21299462

IUPAC2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)C(O)C(=O)NO
InChIInChI=1S/C14H26N2O6/c1-7(2)6-8(9(17)12(19)16-22)11(18)15-10(13(20)21)14(3,4)5/h7-10,17,22H,6H2,1-5H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyRADPGKUOXPKTHP-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.13
Rot. Bonds7

About 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid

2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 21299462) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID21299462
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)C(O)C(=O)NO
InChIInChI=1S/C14H26N2O6/c1-7(2)6-8(9(17)12(19)16-22)11(18)15-10(13(20)21)14(3,4)5/h7-10,17,22H,6H2,1-5H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyRADPGKUOXPKTHP-UHFFFAOYSA-N
XLogP0.13
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.13
H-Bond Donors ≤ 55
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

(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10619360
N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
CID 54385621
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
CID 142008467
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
(2S,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-2-hydroxy-5-methylhexanoic acid
CID 70257923
(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10126693
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-hydroxy-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide
CID 146157832
N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135281872
(2S)-3,3-dimethyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 54291347
(2R,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10237962

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid (CID 21299462) is 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid is CC(C)CC(C(=O)NC(C(=O)O)C(C)(C)C)C(O)C(=O)NO.
What is the InChIKey of 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is RADPGKUOXPKTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-7(2)6-8(9(17)12(19)16-22)11(18)15-10(13(20)21)14(3,4)5/h7-10,17,22H,6H2,1-5H3,(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 318.37 g/mol, XLogP of 0.13, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 21299462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).