methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C11H21NO4 — CID 20610669

IUPACmethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)CC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(7-9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3
InChIKeyONMWOMKZXPVJKQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds3

About methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 20610669) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID20610669
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)CC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(7-9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3
InChIKeyONMWOMKZXPVJKQ-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 19097327
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
(3R)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 22845904
(3S)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 129384174
Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate
CID 61598767
(3S)-3-{[(tert-butoxy)carbonyl](methyl)amino}pentanoic acid
CID 167726918
Methyl (S)-3-Boc-aminobutyrate
CID 11218213
Methyl (R)-N-Boc-3-aminobutyrate
CID 11458612
Ethyl 3-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,4-difluorobutanoate
CID 155731742
Ethyl 2,3,4-trifluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 175343011
1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
CID 178087944
Methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91480818

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 20610669) is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is COC(=O)CC(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is ONMWOMKZXPVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(7-9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3.
What are the key properties of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 20610669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).