ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate

C12H22N2O6 — CID 72570963

IUPACethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
SMILESCCOC(=O)C(N)CCC(=O)NC(CO)C(=O)OCC
InChIInChI=1S/C12H22N2O6/c1-3-19-11(17)8(13)5-6-10(16)14-9(7-15)12(18)20-4-2/h8-9,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyZZFBQEBKSJBKKK-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.30
Rot. Bonds9

About ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate

ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate (PubChem CID 72570963) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
PubChem CID72570963
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Nameethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
SMILESCCOC(=O)C(N)CCC(=O)NC(CO)C(=O)OCC
InChIInChI=1S/C12H22N2O6/c1-3-19-11(17)8(13)5-6-10(16)14-9(7-15)12(18)20-4-2/h8-9,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyZZFBQEBKSJBKKK-UHFFFAOYSA-N
XLogP-1.30
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672
diethyl 2-[[4-amino-5-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-5-oxopentanoyl]amino]pentanedioate
CID 86178402
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479
ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl (2S)-5-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 59821487
diethyl 2-[[10-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-10-oxodecanoyl]amino]pentanedioate
CID 3104562
diethyl (2S)-2-[[9-[[(2R)-1,5-diethoxy-1,5-dioxopentan-2-yl]amino]-9-oxononanoyl]amino]pentanedioate
CID 92532578
methyl (5R)-5-[[(4S)-4-amino-5-ethoxy-5-oxopentanoyl]amino]-4-oxo-6-propanoylsulfanylhexanoate
CID 159107716
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
[(2S)-5-[[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl](15N)amino]-1-ethoxy-1,5-dioxopentan-2-yl](15N)azanium bromide
CID 10527217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate?
The IUPAC name of ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate (CID 72570963) is ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate.
What is the SMILES notation for ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate?
The canonical SMILES for ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate is CCOC(=O)C(N)CCC(=O)NC(CO)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate?
The InChIKey is ZZFBQEBKSJBKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-3-19-11(17)8(13)5-6-10(16)14-9(7-15)12(18)20-4-2/h8-9,15H,3-7,13H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate?
ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate has a molecular weight of 290.32 g/mol, XLogP of -1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 72570963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).