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

C11H20N2O3 — CID 116655081

IUPACmethyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)NC1CCC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)12-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyFEDBRTASJXKKSO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds4

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

methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate (PubChem CID 116655081) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
PubChem CID116655081
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)NC1CCC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)12-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyFEDBRTASJXKKSO-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
Methyl 2-(3-cyclohexylureido)acetate
CID 11053022
Methyl 2-(3-isopropylureido)acetate
CID 43409327
Methyl 2-(3-cyclopentylureido)acetate
CID 71707412
Ethyl N'-isopropylureidoacetate
CID 541544
2-[Ethyl-[3-[2-(trifluoromethoxy)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122011447
2-[Ethyl-[3-(4-fluorobutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122014974
2-[Ethyl-[3-(3-fluorobutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122015474
2-[[3-[[2,2-Difluoroethyl(2-methoxyethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026666
Methyl 2-(butylcarbamoylamino)propanoate
CID 3933071
Ethyl 2-[methyl(propan-2-ylcarbamoyl)amino]acetate
CID 10352819
methyl (2S)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoylamino]propanoate
CID 12475047

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate (CID 116655081) is methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)NC1CCC1)C(C)C.
What is the InChIKey of methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate?
The InChIKey is FEDBRTASJXKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13(7-10(14)16-3)11(15)12-9-5-4-6-9/h8-9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate?
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 116655081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).