tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium

C9H16FmNO4- — CID 163370403

IUPACtert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium
SMILESCC(C)(C)OC(=O)CC(CO)N[C-]=O.[Fm]
InChIInChI=1S/C9H16NO4.Fm/c1-9(2,3)14-8(13)4-7(5-11)10-6-12;/h7,11H,4-5H2,1-3H3,(H,10,12);/q-1;
InChIKeyCCIKEHNAEQMXGG-UHFFFAOYSA-N
MW459.23 g/mol
LogP-0.26
Rot. Bonds5

About tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium

tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium (PubChem CID 163370403) has the molecular formula C9H16FmNO4- and a molecular weight of 459.23 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium
PubChem CID163370403
Molecular FormulaC9H16FmNO4-
Molecular Weight459.23 g/mol
Exact Mass459.20
IUPAC Nametert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium
SMILESCC(C)(C)OC(=O)CC(CO)N[C-]=O.[Fm]
InChIInChI=1S/C9H16NO4.Fm/c1-9(2,3)14-8(13)4-7(5-11)10-6-12;/h7,11H,4-5H2,1-3H3,(H,10,12);/q-1;
InChIKeyCCIKEHNAEQMXGG-UHFFFAOYSA-N
XLogP-0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-formamido-4-hydroxybutanoate
CID 163370404
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
CID 110012338
fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone
CID 167509076
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3S)-3-(hydroxymethyl)-4-isocyanobutanoate
CID 159582225
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl 3-(2-hydroxyethyl)pentanedioate
CID 57305797
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium?
The IUPAC name of tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium (CID 163370403) is tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium.
What is the SMILES notation for tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium?
The canonical SMILES for tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium is CC(C)(C)OC(=O)CC(CO)N[C-]=O.[Fm].
What is the InChIKey of tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium?
The InChIKey is CCIKEHNAEQMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO4.Fm/c1-9(2,3)14-8(13)4-7(5-11)10-6-12;/h7,11H,4-5H2,1-3H3,(H,10,12);/q-1;.
What are the key properties of tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium?
tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium has a molecular weight of 459.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-(oxomethylamino)butanoate;fermium is sourced from PubChem (CID 163370403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).