2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate

C11H22N2O3 — CID 142778230

IUPAC2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
SMILESCCN(CC)CCOC(=O)CCC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)8-9-16-11(15)7-6-10(14)12-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyLBKBACQNRABQRW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds8

About 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate

2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate (PubChem CID 142778230) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
PubChem CID142778230
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
SMILESCCN(CC)CCOC(=O)CCC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)8-9-16-11(15)7-6-10(14)12-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyLBKBACQNRABQRW-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl pentanoate
CID 14795466
2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
3-[4-(methylamino)-4-oxobutanoyl]oxypropyl tetradecanoate
CID 166116621
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
CID 175053259
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 66337491
amino 4-(methylamino)-4-oxobutanoate
CID 89307861
nonyl 8-[[4-(methylamino)-4-oxobutyl]-octylamino]octanoate
CID 166798426
2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
CID 91507579

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate?
The IUPAC name of 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate (CID 142778230) is 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate is CCN(CC)CCOC(=O)CCC(=O)NC.
What is the InChIKey of 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate?
The InChIKey is LBKBACQNRABQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-13(5-2)8-9-16-11(15)7-6-10(14)12-3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate?
2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 142778230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).