[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten

C13H23N2O4W- — CID 59893914

IUPAC[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten
SMILESCOC(=O)C1CC([NH-])[C@H](C(NC(C)=O)C(C)C)C1O.[W]
InChIInChI=1S/C13H23N2O4.W/c1-6(2)11(15-7(3)16)10-9(14)5-8(12(10)17)13(18)19-4;/h6,8-12,14,17H,5H2,1-4H3,(H,15,16);/q-1;/t8?,9?,10-,11?,12?;/m1./s1
InChIKeyATXRPUBEZFPWPF-RUNBDQSZSA-N
MW455.18 g/mol
LogP0.74
Rot. Bonds4

About [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten

[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten (PubChem CID 59893914) has the molecular formula C13H23N2O4W- and a molecular weight of 455.18 g/mol. Its IUPAC name is [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten.

Molecular Properties

Compound Name[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten
PubChem CID59893914
Molecular FormulaC13H23N2O4W-
Molecular Weight455.18 g/mol
Exact Mass455.12
IUPAC Name[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten
SMILESCOC(=O)C1CC([NH-])[C@H](C(NC(C)=O)C(C)C)C1O.[W]
InChIInChI=1S/C13H23N2O4.W/c1-6(2)11(15-7(3)16)10-9(14)5-8(12(10)17)13(18)19-4;/h6,8-12,14,17H,5H2,1-4H3,(H,15,16);/q-1;/t8?,9?,10-,11?,12?;/m1./s1
InChIKeyATXRPUBEZFPWPF-RUNBDQSZSA-N
XLogP0.74
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1S,2S,3S,4R)-3-[(1R)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate
CID 73012103
methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
CID 123520214
methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 20586301
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
ethyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-amino-2-hydroxycyclopentane-1-carboxylate
CID 20586261
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
actinium;[2-ethyl-1-[(1R,2S,3S,5R)-2-hydroxy-3-methoxycarbonyl-5-methylcyclopentyl]butyl]azanide
CID 59063038
propan-2-yl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;hydrochloride
CID 165178810
ethyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate
CID 165178809
methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
CID 59065836
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten?
The IUPAC name of [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten (CID 59893914) is [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten.
What is the SMILES notation for [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten?
The canonical SMILES for [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten is COC(=O)C1CC([NH-])[C@H](C(NC(C)=O)C(C)C)C1O.[W].
What is the InChIKey of [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten?
The InChIKey is ATXRPUBEZFPWPF-RUNBDQSZSA-N. The full InChI is InChI=1S/C13H23N2O4.W/c1-6(2)11(15-7(3)16)10-9(14)5-8(12(10)17)13(18)19-4;/h6,8-12,14,17H,5H2,1-4H3,(H,15,16);/q-1;/t8?,9?,10-,11?,12?;/m1./s1.
What are the key properties of [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten?
[(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten has a molecular weight of 455.18 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-acetamido-2-methylpropyl)-3-hydroxy-4-methoxycarbonylcyclopentyl]azanide;tungsten is sourced from PubChem (CID 59893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).