ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate

C17H32N2O5 — CID 142008467

IUPACethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NC(=O)[C@H](CC(C)C)C(C)C(=O)NO)C(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-8-24-16(22)13(17(5,6)7)18-15(21)12(9-10(2)3)11(4)14(20)19-23/h10-13,23H,8-9H2,1-7H3,(H,18,21)(H,19,20)/t11?,12-,13?/m1/s1
InChIKeyHZCFLWOYVHLWLM-OTTFEQOBSA-N
MW344.45 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate

ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate (PubChem CID 142008467) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
PubChem CID142008467
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nameethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NC(=O)[C@H](CC(C)C)C(C)C(=O)NO)C(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-8-24-16(22)13(17(5,6)7)18-15(21)12(9-10(2)3)11(4)14(20)19-23/h10-13,23H,8-9H2,1-7H3,(H,18,21)(H,19,20)/t11?,12-,13?/m1/s1
InChIKeyHZCFLWOYVHLWLM-OTTFEQOBSA-N
XLogP1.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.88
H-Bond Donors ≤ 53
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'}

Analyze ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate with MolForge

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Related Compounds

2-methoxyethyl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hexanoyl]amino]-3,3-dimethylbutanoate
CID 23391705
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10619360
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-pyrrolidin-1-ylbutanediamide
CID 10572102
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
butyl 2-(ethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91713763
benzyl (2R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-propylhexanoate
CID 67913095
tert-butyl (2R,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-methylsulfanylhexanoate
CID 10549124
(2S)-3,3-dimethyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 54291347
propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
CID 57205167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate (CID 142008467) is ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate is CCOC(=O)C(NC(=O)[C@H](CC(C)C)C(C)C(=O)NO)C(C)(C)C.
What is the InChIKey of ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The InChIKey is HZCFLWOYVHLWLM-OTTFEQOBSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-8-24-16(22)13(17(5,6)7)18-15(21)12(9-10(2)3)11(4)14(20)19-23/h10-13,23H,8-9H2,1-7H3,(H,18,21)(H,19,20)/t11?,12-,13?/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate has a molecular weight of 344.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 142008467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).