methyl 4-[ethylcarbamoyl(methyl)amino]butanoate

C9H18N2O3 — CID 60970924

IUPACmethyl 4-[ethylcarbamoyl(methyl)amino]butanoate
SMILESCCNC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-10-9(13)11(2)7-5-6-8(12)14-3/h4-7H2,1-3H3,(H,10,13)
InChIKeyFWJGPKFXXXELID-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds5

About methyl 4-[ethylcarbamoyl(methyl)amino]butanoate

methyl 4-[ethylcarbamoyl(methyl)amino]butanoate (PubChem CID 60970924) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-[ethylcarbamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[ethylcarbamoyl(methyl)amino]butanoate
PubChem CID60970924
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 4-[ethylcarbamoyl(methyl)amino]butanoate
SMILESCCNC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-10-9(13)11(2)7-5-6-8(12)14-3/h4-7H2,1-3H3,(H,10,13)
InChIKeyFWJGPKFXXXELID-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434214
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate
CID 166798073
methyl 4-[(3,5-dichlorophenyl)carbamoyl-methylamino]butanoate
CID 103858616
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethylcarbamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[ethylcarbamoyl(methyl)amino]butanoate (CID 60970924) is methyl 4-[ethylcarbamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[ethylcarbamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[ethylcarbamoyl(methyl)amino]butanoate is CCNC(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[ethylcarbamoyl(methyl)amino]butanoate?
The InChIKey is FWJGPKFXXXELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-9(13)11(2)7-5-6-8(12)14-3/h4-7H2,1-3H3,(H,10,13).
What are the key properties of methyl 4-[ethylcarbamoyl(methyl)amino]butanoate?
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethylcarbamoyl(methyl)amino]butanoate is sourced from PubChem (CID 60970924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).