methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate

C11H19NO3 — CID 60766753

IUPACmethyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCC1)C(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)12(7-10(13)15-3)11(14)9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyDNWQOTKCQJCNPW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds4

About methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate

methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate (PubChem CID 60766753) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate
PubChem CID60766753
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CCC1)C(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)12(7-10(13)15-3)11(14)9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyDNWQOTKCQJCNPW-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 11019600
methyl (2S)-2-[methyl(2-methylpropanoyl)amino]propanoate
CID 45119456
L-Proline, N-cyclobutylcarbonyl-, methyl ester
CID 551081
L-Valine, N-cyclobutylcarbonyl-, methyl ester
CID 551663
Glycine, N-methyl-N-(3-methyl-1-oxobutyl)-, methyl ester
CID 551711
L-Leucine, N-cyclobutylcarbonyl-, methyl ester
CID 559863
l-Alanine, N-cyclobutylcarbonyl-, methyl ester
CID 22216350
Methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate
CID 13150911
Methyl 2(S)-(piperidin-2-on-1-yl)-3-methylbutanoate
CID 15283804
Methyl 3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 19371431
Methyl 2-[methyl(2-methylpropanoyl)amino]propanoate
CID 20349141
Methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate
CID 20715308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate (CID 60766753) is methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)C1CCC1)C(C)C.
What is the InChIKey of methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate?
The InChIKey is DNWQOTKCQJCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)12(7-10(13)15-3)11(14)9-5-4-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate?
methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 60766753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).