ethyl 4-acetamidohexanoate

C10H19NO3 — CID 173385826

IUPACethyl 4-acetamidohexanoate
SMILESCCOC(=O)CCC(CC)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-9(11-8(3)12)6-7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12)
InChIKeyRKUMLGGMJBYWKP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds6

About ethyl 4-acetamidohexanoate

ethyl 4-acetamidohexanoate (PubChem CID 173385826) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 4-acetamidohexanoate.

Molecular Properties

Compound Nameethyl 4-acetamidohexanoate
PubChem CID173385826
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 4-acetamidohexanoate
SMILESCCOC(=O)CCC(CC)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-9(11-8(3)12)6-7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12)
InChIKeyRKUMLGGMJBYWKP-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157026850
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
diethyl 4-(methylamino)heptanedioate
CID 88543894
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
ethyl (3S)-3-(butanoylamino)pentanoate
CID 102302420
diethyl 4-acetylheptanedioate
CID 15669145
ethyl 3-[[(3S)-6-acetamidohexan-3-yl]amino]propanoate
CID 125469320
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
methyl (3R)-3-acetamidopentanoate
CID 11446607
ethyl (4S)-4-acetamido-5-oxo-5-(pentylamino)pentanoate
CID 102426920
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamidohexanoate?
The IUPAC name of ethyl 4-acetamidohexanoate (CID 173385826) is ethyl 4-acetamidohexanoate.
What is the SMILES notation for ethyl 4-acetamidohexanoate?
The canonical SMILES for ethyl 4-acetamidohexanoate is CCOC(=O)CCC(CC)NC(C)=O.
What is the InChIKey of ethyl 4-acetamidohexanoate?
The InChIKey is RKUMLGGMJBYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-9(11-8(3)12)6-7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of ethyl 4-acetamidohexanoate?
ethyl 4-acetamidohexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamidohexanoate is sourced from PubChem (CID 173385826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).