methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C11H21NO4 — CID 87219708

IUPACmethyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(9(13)15-5)6-7-12-10(14)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyWFJCATDYIVQSSJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds4

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

methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 87219708) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID87219708
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(9(13)15-5)6-7-12-10(14)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyWFJCATDYIVQSSJ-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 294894
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)butanoic acid
CID 12155293
Methyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 13112352
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
4-(((Tert-butoxy)carbonyl)amino)-2,2-dimethylbutanoic acid
CID 4306222
4-([(Tert-butoxy)carbonyl]amino)-2-ethylbutanoic acid
CID 18544405
Methyl cis-3-(Boc-amino)cyclobutanecarboxylate
CID 57415870
4-{[(Tert-butoxy)carbonyl]amino}-2-methylbutanoic acid
CID 59008908
4-((Tert-butoxycarbonyl)amino)-3,3-dimethylbutanoic acid
CID 87471256
4-(((Tert-butoxy)carbonyl)amino)-2-fluorobutanoic acid
CID 134163128
Methyl 3-((tert-butoxycarbonyl)amino)-2-methylpropanoate
CID 15294242
2-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-3-methylbutanoic acid
CID 91654885

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 87219708) is methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is WFJCATDYIVQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(9(13)15-5)6-7-12-10(14)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 87219708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).