ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate

C12H22N2O3 — CID 64661878

IUPACethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
SMILESCCOC(=O)C(CC)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-10(12(16)17-5-2)14(3)8-11(15)13-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyUWGVPJMCENXJBY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds7

About ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate

ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate (PubChem CID 64661878) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
PubChem CID64661878
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
SMILESCCOC(=O)C(CC)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-10(12(16)17-5-2)14(3)8-11(15)13-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyUWGVPJMCENXJBY-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
CID 103224685
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
2-[(3-amino-2-ethoxypropyl)-methylamino]-N-cyclopropylacetamide
CID 63070047
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate (CID 64661878) is ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate is CCOC(=O)C(CC)N(C)CC(=O)NC1CC1.
What is the InChIKey of ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate?
The InChIKey is UWGVPJMCENXJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10(12(16)17-5-2)14(3)8-11(15)13-9-6-7-9/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate?
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 64661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).