methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate

C11H21NO4 — CID 90076099

IUPACmethyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
SMILESCCC(C)(C)OC(=O)NCCCC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-11(2,3)16-10(14)12-8-6-7-9(13)15-4/h5-8H2,1-4H3,(H,12,14)
InChIKeyZDAKVMKLPIJLBD-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.85
Rot. Bonds6

About methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate

methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate (PubChem CID 90076099) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
PubChem CID90076099
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
SMILESCCC(C)(C)OC(=O)NCCCC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-11(2,3)16-10(14)12-8-6-7-9(13)15-4/h5-8H2,1-4H3,(H,12,14)
InChIKeyZDAKVMKLPIJLBD-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2-methylbutan-2-yloxycarbonylamino)octanoate
CID 155764709
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
CID 79815089
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
methyl 4-(2-bromobutanoylamino)butanoate
CID 62855279
2-methylbutan-2-yl 3-acetamidopropanoate
CID 134215822
methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate?
The IUPAC name of methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate (CID 90076099) is methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate.
What is the SMILES notation for methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate?
The canonical SMILES for methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate is CCC(C)(C)OC(=O)NCCCC(=O)OC.
What is the InChIKey of methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate?
The InChIKey is ZDAKVMKLPIJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-11(2,3)16-10(14)12-8-6-7-9(13)15-4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate?
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate has a molecular weight of 231.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate is sourced from PubChem (CID 90076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).