ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate

C10H18N2O4 — CID 60659458

IUPACethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)NC
InChIInChI=1S/C10H18N2O4/c1-4-16-10(15)6-5-9(14)12(3)7-8(13)11-2/h4-7H2,1-3H3,(H,11,13)
InChIKeyDNFINHGVFYZLOG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.47
Rot. Bonds6

About ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate

ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 60659458) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID60659458
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)NC
InChIInChI=1S/C10H18N2O4/c1-4-16-10(15)6-5-9(14)12(3)7-8(13)11-2/h4-7H2,1-3H3,(H,11,13)
InChIKeyDNFINHGVFYZLOG-UHFFFAOYSA-N
XLogP-0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107022688
3-(ethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62833977
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate (CID 60659458) is ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CC(=O)NC.
What is the InChIKey of ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is DNFINHGVFYZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-16-10(15)6-5-9(14)12(3)7-8(13)11-2/h4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate?
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 230.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 60659458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).