2-[(1-ethylazepan-4-yl)-methylamino]acetic acid

C11H22N2O2 — CID 65077241

IUPAC2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
SMILESCCN1CCCC(N(C)CC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-13-7-4-5-10(6-8-13)12(2)9-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyYDIXQZYQSIOUQS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds4

About 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid

2-[(1-ethylazepan-4-yl)-methylamino]acetic acid (PubChem CID 65077241) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
PubChem CID65077241
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
SMILESCCN1CCCC(N(C)CC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-13-7-4-5-10(6-8-13)12(2)9-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyYDIXQZYQSIOUQS-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[(1-ethylazepan-4-yl)-prop-2-ynylamino]acetic acid
CID 79284336
2-(4-chloro-N-(1-ethylazepan-4-yl)anilino)acetic acid
CID 65076537
2-[[1-[(4-chloro-2,6-dimethylphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043546
2-[[1-[(5-chloro-2-fluorophenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043538
2-[[1-(2-benzylsulfanylethyl)azepan-4-yl]-methylamino]acetic acid
CID 122043489
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043403
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2-[cyclohexyl(deuteriomethyl)amino]acetic acid
CID 176582981

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid (CID 65077241) is 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid is CCN1CCCC(N(C)CC(=O)O)CC1.
What is the InChIKey of 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid?
The InChIKey is YDIXQZYQSIOUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13-7-4-5-10(6-8-13)12(2)9-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid?
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylazepan-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 65077241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).