methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate

C9H18N2O3 — CID 43566979

IUPACmethyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCNC(=O)CNCC(C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-11-8(12)6-10-5-7(2)9(13)14-3/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyACKGSQOGASEKCG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.48
Rot. Bonds6

About methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate

methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 43566979) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID43566979
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCNC(=O)CNCC(C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-11-8(12)6-10-5-7(2)9(13)14-3/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyACKGSQOGASEKCG-UHFFFAOYSA-N
XLogP-0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
N-ethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905286
N-ethyl-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143284
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60910441
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate (CID 43566979) is methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate is CCNC(=O)CNCC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is ACKGSQOGASEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-11-8(12)6-10-5-7(2)9(13)14-3/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate?
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 202.25 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 43566979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).