3-[(1-ethylazepan-4-yl)amino]propanoic acid

C11H22N2O2 — CID 65074143

IUPAC3-[(1-ethylazepan-4-yl)amino]propanoic acid
SMILESCCN1CCCC(NCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13-8-3-4-10(6-9-13)12-7-5-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyKNVGJPAIPKXWQB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds5

About 3-[(1-ethylazepan-4-yl)amino]propanoic acid

3-[(1-ethylazepan-4-yl)amino]propanoic acid (PubChem CID 65074143) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(1-ethylazepan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylazepan-4-yl)amino]propanoic acid
PubChem CID65074143
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(1-ethylazepan-4-yl)amino]propanoic acid
SMILESCCN1CCCC(NCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13-8-3-4-10(6-9-13)12-7-5-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyKNVGJPAIPKXWQB-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
CID 79393828
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103980886
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylazepan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-ethylazepan-4-yl)amino]propanoic acid (CID 65074143) is 3-[(1-ethylazepan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-ethylazepan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-ethylazepan-4-yl)amino]propanoic acid is CCN1CCCC(NCCC(=O)O)CC1.
What is the InChIKey of 3-[(1-ethylazepan-4-yl)amino]propanoic acid?
The InChIKey is KNVGJPAIPKXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-13-8-3-4-10(6-9-13)12-7-5-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(1-ethylazepan-4-yl)amino]propanoic acid?
3-[(1-ethylazepan-4-yl)amino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylazepan-4-yl)amino]propanoic acid is sourced from PubChem (CID 65074143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).