ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate

C11H21NO4 — CID 43573775

IUPACethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12(7-8-13)9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyFLKQJMUZUKDDBP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.56
Rot. Bonds7

About ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate

ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate (PubChem CID 43573775) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate
PubChem CID43573775
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12(7-8-13)9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyFLKQJMUZUKDDBP-UHFFFAOYSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl N,N-diethylsuccinamate
CID 79913
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Methyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)butanoate
CID 889401
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
Ethyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododec-10-yl)butanoate
CID 9550559
4-[Bis(2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 13643396
Ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 64327506
Tert-butyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 106812668
Ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-oxobutanoate
CID 107478969
Tert-butyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-oxobutanoate
CID 113964702
1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-butanoic acid, gamma-oxo-
CID 545802
Methyl 4-(dipropan-2-ylamino)-4-oxobutanoate
CID 245461

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate (CID 43573775) is ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CCO)C(C)C.
What is the InChIKey of ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate?
The InChIKey is FLKQJMUZUKDDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-11(15)6-5-10(14)12(7-8-13)9(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate?
ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 43573775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).