propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate

C18H34N2O6 — CID 57205167

IUPACpropan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
SMILESCC(C)C[C@H](COCC(=O)NO)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H34N2O6/c1-11(2)8-13(9-25-10-14(21)20-24)16(22)19-15(18(5,6)7)17(23)26-12(3)4/h11-13,15,24H,8-10H2,1-7H3,(H,19,22)(H,20,21)/t13-,15-/m1/s1
InChIKeyWZQQUARXMOPHCM-UKRRQHHQSA-N
MW374.48 g/mol
LogP1.65
Rot. Bonds10

About propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate

propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate (PubChem CID 57205167) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
PubChem CID57205167
Molecular FormulaC18H34N2O6
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Namepropan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
SMILESCC(C)C[C@H](COCC(=O)NO)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H34N2O6/c1-11(2)8-13(9-25-10-14(21)20-24)16(22)19-15(18(5,6)7)17(23)26-12(3)4/h11-13,15,24H,8-10H2,1-7H3,(H,19,22)(H,20,21)/t13-,15-/m1/s1
InChIKeyWZQQUARXMOPHCM-UKRRQHHQSA-N
XLogP1.65
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 123941251
ethyl 2-[[(2R)-2-[1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
CID 142008467
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide;3-[2-(dithiolan-4-yl)ethyl]-N-hydroxy-5-methylhexanamide
CID 158507208
propan-2-yl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoate
CID 119326001
(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 135172784
(3R)-3-[[1-(benzylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid
CID 10523588
(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11962301
2-methoxyethyl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hexanoyl]amino]-3,3-dimethylbutanoate
CID 23391705
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
CID 119787715
(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-phenylbutan-2-yl]-N'-hydroxy-2-(4-phenylmethoxybutyl)butanediamide
CID 10073348
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate;hydrochloride
CID 119787714

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate (CID 57205167) is propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate is CC(C)C[C@H](COCC(=O)NO)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
The InChIKey is WZQQUARXMOPHCM-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H34N2O6/c1-11(2)8-13(9-25-10-14(21)20-24)16(22)19-15(18(5,6)7)17(23)26-12(3)4/h11-13,15,24H,8-10H2,1-7H3,(H,19,22)(H,20,21)/t13-,15-/m1/s1.
What are the key properties of propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate?
propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate has a molecular weight of 374.48 g/mol, XLogP of 1.65, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 57205167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).