ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate

C10H20N2O4 — CID 103102950

IUPACethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(CC)CC(N)=O
InChIInChI=1S/C10H20N2O4/c1-3-12(7-9(11)14)6-8(13)5-10(15)16-4-2/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyJKTHVTPOPIHQES-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.89
Rot. Bonds8

About ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate

ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate (PubChem CID 103102950) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
PubChem CID103102950
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(CC)CC(N)=O
InChIInChI=1S/C10H20N2O4/c1-3-12(7-9(11)14)6-8(13)5-10(15)16-4-2/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyJKTHVTPOPIHQES-UHFFFAOYSA-N
XLogP-0.89
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
CID 103102939
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
CID 82778622
5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 174478924
ethyl 4-(N-ethyl-4-methylanilino)-3-hydroxybutanoate
CID 82771038
ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate
CID 103102935
2-[ethyl(2-oxopropyl)amino]acetamide
CID 103103058
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 26730

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate (CID 103102950) is ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate is CCOC(=O)CC(O)CN(CC)CC(N)=O.
What is the InChIKey of ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate?
The InChIKey is JKTHVTPOPIHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-12(7-9(11)14)6-8(13)5-10(15)16-4-2/h8,13H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate?
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate has a molecular weight of 232.28 g/mol, XLogP of -0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate is sourced from PubChem (CID 103102950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).