methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate

C11H22N2O3 — CID 55028566

IUPACmethyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-10(15)13(4)8-6-7-9(14)16-5/h6-8H2,1-5H3,(H,12,15)
InChIKeyFDXQBNRDVFSKRS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds4

About methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate

methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate (PubChem CID 55028566) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
PubChem CID55028566
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-10(15)13(4)8-6-7-9(14)16-5/h6-8H2,1-5H3,(H,12,15)
InChIKeyFDXQBNRDVFSKRS-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002383
3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
CID 60960998
methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
methyl 4-[(2-tert-butylsulfanylacetyl)-methylamino]butanoate
CID 54943106
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
methyl 4-[(3,5-dichlorophenyl)carbamoyl-methylamino]butanoate
CID 103858616
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate (CID 55028566) is methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)NC(C)(C)C.
What is the InChIKey of methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate?
The InChIKey is FDXQBNRDVFSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)12-10(15)13(4)8-6-7-9(14)16-5/h6-8H2,1-5H3,(H,12,15).
What are the key properties of methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate?
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate is sourced from PubChem (CID 55028566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).