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

C10H20N2O2 — CID 65074488

IUPAC2-[(1-ethylazepan-4-yl)amino]acetic acid
SMILESCCN1CCCC(NCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-6-3-4-9(5-7-12)11-8-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyUMINWCNQHYLSPT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds4

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

2-[(1-ethylazepan-4-yl)amino]acetic acid (PubChem CID 65074488) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(1-ethylazepan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylazepan-4-yl)amino]acetic acid
PubChem CID65074488
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[(1-ethylazepan-4-yl)amino]acetic acid
SMILESCCN1CCCC(NCC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-6-3-4-9(5-7-12)11-8-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyUMINWCNQHYLSPT-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
CID 79393828
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylazepan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylazepan-4-yl)amino]acetic acid (CID 65074488) is 2-[(1-ethylazepan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylazepan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylazepan-4-yl)amino]acetic acid is CCN1CCCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-ethylazepan-4-yl)amino]acetic acid?
The InChIKey is UMINWCNQHYLSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-12-6-3-4-9(5-7-12)11-8-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[(1-ethylazepan-4-yl)amino]acetic acid?
2-[(1-ethylazepan-4-yl)amino]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylazepan-4-yl)amino]acetic acid is sourced from PubChem (CID 65074488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).