ethyl 2-(pentanoylamino)acetate

C9H17NO3 — CID 4279931

IUPACethyl 2-(pentanoylamino)acetate
SMILESCCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyAANHHBYEPHMGIE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.86
Rot. Bonds6

About ethyl 2-(pentanoylamino)acetate

ethyl 2-(pentanoylamino)acetate (PubChem CID 4279931) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(pentanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(pentanoylamino)acetate
PubChem CID4279931
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(pentanoylamino)acetate
SMILESCCCCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyAANHHBYEPHMGIE-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
ethyl 4-(pentanoylamino)butanoate
CID 60654722
butyl 8-[(2-butoxy-2-oxoethyl)amino]-8-oxooctanoate
CID 6426995
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate
CID 10616283
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
butan-1-amine;N-butylpentanamide;ethanol;ethyl pentanoate
CID 159880902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pentanoylamino)acetate?
The IUPAC name of ethyl 2-(pentanoylamino)acetate (CID 4279931) is ethyl 2-(pentanoylamino)acetate.
What is the SMILES notation for ethyl 2-(pentanoylamino)acetate?
The canonical SMILES for ethyl 2-(pentanoylamino)acetate is CCCCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(pentanoylamino)acetate?
The InChIKey is AANHHBYEPHMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-(pentanoylamino)acetate?
ethyl 2-(pentanoylamino)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pentanoylamino)acetate is sourced from PubChem (CID 4279931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).