methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate

C11H20N2O5 — CID 123805499

IUPACmethyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate
SMILESCOC(=O)C(CNC(=O)OC(C)(C)C)CC(N)=O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-6-7(5-8(12)14)9(15)17-4/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyBFFLOXINLDYDOJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.18
Rot. Bonds5

About methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate

methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate (PubChem CID 123805499) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate
PubChem CID123805499
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate
SMILESCOC(=O)C(CNC(=O)OC(C)(C)C)CC(N)=O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-6-7(5-8(12)14)9(15)17-4/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyBFFLOXINLDYDOJ-UHFFFAOYSA-N
XLogP0.18
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate with MolForge

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Related Compounds

tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
methyl (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 100957165
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 75525942
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
CID 156723013
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate?
The IUPAC name of methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate (CID 123805499) is methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate?
The canonical SMILES for methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate is COC(=O)C(CNC(=O)OC(C)(C)C)CC(N)=O.
What is the InChIKey of methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate?
The InChIKey is BFFLOXINLDYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)13-6-7(5-8(12)14)9(15)17-4/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16).
What are the key properties of methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate?
methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate has a molecular weight of 260.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate is sourced from PubChem (CID 123805499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).