4-amino-7-ethoxy-7-oxoheptanoic acid

C9H17NO4 — CID 87355046

IUPAC4-amino-7-ethoxy-7-oxoheptanoic acid
SMILESCCOC(=O)CCC(N)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyJPILDYCVYNGTCL-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.52
Rot. Bonds7

About 4-amino-7-ethoxy-7-oxoheptanoic acid

4-amino-7-ethoxy-7-oxoheptanoic acid (PubChem CID 87355046) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-7-ethoxy-7-oxoheptanoic acid.

Molecular Properties

Compound Name4-amino-7-ethoxy-7-oxoheptanoic acid
PubChem CID87355046
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-amino-7-ethoxy-7-oxoheptanoic acid
SMILESCCOC(=O)CCC(N)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyJPILDYCVYNGTCL-UHFFFAOYSA-N
XLogP0.52
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl 4-amino-5-fluoropentanoate;hydrochloride
CID 105452534
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
4,4-dicyclopropylbutanoic acid;ethyl 4,4-dicyclopropylbutanoate
CID 158390010
diethyl 4-acetylheptanedioate
CID 15669145
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
sodium;4-ethoxy-4-oxobutanoic acid;hydride
CID 173021123
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethoxy-7-oxoheptanoic acid?
The IUPAC name of 4-amino-7-ethoxy-7-oxoheptanoic acid (CID 87355046) is 4-amino-7-ethoxy-7-oxoheptanoic acid.
What is the SMILES notation for 4-amino-7-ethoxy-7-oxoheptanoic acid?
The canonical SMILES for 4-amino-7-ethoxy-7-oxoheptanoic acid is CCOC(=O)CCC(N)CCC(=O)O.
What is the InChIKey of 4-amino-7-ethoxy-7-oxoheptanoic acid?
The InChIKey is JPILDYCVYNGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-7-ethoxy-7-oxoheptanoic acid?
4-amino-7-ethoxy-7-oxoheptanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethoxy-7-oxoheptanoic acid is sourced from PubChem (CID 87355046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).