ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate

C11H22N2O3 — CID 103102891

IUPACethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-7-9(11(15)16-6-3)13(5-2)8-10(12)14/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyDYPPKXWUWXHGPP-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds8

About ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate

ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate (PubChem CID 103102891) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
PubChem CID103102891
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-7-9(11(15)16-6-3)13(5-2)8-10(12)14/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyDYPPKXWUWXHGPP-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2-aminoacetamido)pentanoate hydrochloride
CID 138991027
Ornithyl-glycine-ethyl ester
CID 88317165
ethyl (2S)-2-(4-ethylpiperazin-1-yl)pentanoate
CID 95628179
Ethyl 2-(2-aminoacetamido)-4-methylpentanoate
CID 87586785
N-acetyl-l-norvaline ethyl ester
CID 14420112
l-Alanine, N-valeryl-, pentyl ester
CID 6420533
l-Norvalyl-l-norvaline, N-methoxycarbonyl-, butyl ester
CID 91714330
l-Norvalyl-l-norvaline, N-ethoxycarbonyl-, ethyl ester
CID 91718576
Ethyl 2-acetamidopentanoate
CID 14420111
2-Morpholin-4-ylpentanamide
CID 18179789
Ethyl 2-(propylamino)pentanoate
CID 21021838
Ethyl 2-[methyl(propyl)amino]pentanoate
CID 21021839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate?
The IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate (CID 103102891) is ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate?
The canonical SMILES for ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate is CCCC(C(=O)OCC)N(CC)CC(N)=O.
What is the InChIKey of ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate?
The InChIKey is DYPPKXWUWXHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-9(11(15)16-6-3)13(5-2)8-10(12)14/h9H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate?
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate is sourced from PubChem (CID 103102891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).