fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C13H23FmN2O5- — CID 166490318

IUPACfermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCN([C-]=O)C(CCCCNC(=O)OC(C)(C)C)C(=O)O.[Fm]
InChIInChI=1S/C13H23N2O5.Fm/c1-13(2,3)20-12(19)14-8-6-5-7-10(11(17)18)15(4)9-16;/h10H,5-8H2,1-4H3,(H,14,19)(H,17,18);/q-1;
InChIKeyIVSHQYXPKCDTNH-UHFFFAOYSA-N
MW544.34 g/mol
LogP1.13
Rot. Bonds8

About fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 166490318) has the molecular formula C13H23FmN2O5- and a molecular weight of 544.34 g/mol. Its IUPAC name is fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Namefermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID166490318
Molecular FormulaC13H23FmN2O5-
Molecular Weight544.34 g/mol
Exact Mass544.26
IUPAC Namefermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCN([C-]=O)C(CCCCNC(=O)OC(C)(C)C)C(=O)O.[Fm]
InChIInChI=1S/C13H23N2O5.Fm/c1-13(2,3)20-12(19)14-8-6-5-7-10(11(17)18)15(4)9-16;/h10H,5-8H2,1-4H3,(H,14,19)(H,17,18);/q-1;
InChIKeyIVSHQYXPKCDTNH-UHFFFAOYSA-N
XLogP1.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]octanoic acid
CID 155121101
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
2-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87355340
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxomethylamino)hexanoate;fermium
CID 170747974

Frequently Asked Questions

What is the IUPAC name of fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 166490318) is fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CN([C-]=O)C(CCCCNC(=O)OC(C)(C)C)C(=O)O.[Fm].
What is the InChIKey of fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is IVSHQYXPKCDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O5.Fm/c1-13(2,3)20-12(19)14-8-6-5-7-10(11(17)18)15(4)9-16;/h10H,5-8H2,1-4H3,(H,14,19)(H,17,18);/q-1;.
What are the key properties of fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 544.34 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-[methyl(oxomethyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 166490318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).