4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid

C13H24N2O3 — CID 64890724

IUPAC4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
SMILESCCC1CCCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-10-4-3-8-15(9-7-10)13(18)11(14)5-6-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyWQHGJGANTQUXSX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds5

About 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid

4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid (PubChem CID 64890724) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
PubChem CID64890724
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
SMILESCCC1CCCN(C(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-10-4-3-8-15(9-7-10)13(18)11(14)5-6-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyWQHGJGANTQUXSX-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64890678
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
4-amino-5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 64888148
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid (CID 64890724) is 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid is CCC1CCCN(C(=O)C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid?
The InChIKey is WQHGJGANTQUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-10-4-3-8-15(9-7-10)13(18)11(14)5-6-12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid?
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 64890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).