ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate

C11H16N2O3S — CID 71200803

IUPACethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate
SMILESCCOC(=O)CCC(N)C(=O)Nc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)6-5-8(12)11(15)13-9-4-3-7-17-9/h3-4,7-8H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyVTVSYEDNSDGYEZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.36
Rot. Bonds6

About ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate

ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate (PubChem CID 71200803) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate
PubChem CID71200803
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate
SMILESCCOC(=O)CCC(N)C(=O)Nc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)6-5-8(12)11(15)13-9-4-3-7-17-9/h3-4,7-8H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyVTVSYEDNSDGYEZ-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate
CID 137495952
benzyl 4-amino-5-oxooctanoate
CID 123170480
thiophen-2-ylcarbamic acid
CID 19432670
bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
(2S)-5-ethoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107039101
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-thiophen-2-ylpentanoate
CID 154720614

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate?
The IUPAC name of ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate (CID 71200803) is ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate?
The canonical SMILES for ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate is CCOC(=O)CCC(N)C(=O)Nc1cccs1.
What is the InChIKey of ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate?
The InChIKey is VTVSYEDNSDGYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-10(14)6-5-8(12)11(15)13-9-4-3-7-17-9/h3-4,7-8H,2,5-6,12H2,1H3,(H,13,15).
What are the key properties of ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate?
ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate has a molecular weight of 256.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate is sourced from PubChem (CID 71200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).