2-(1-ethylazepan-4-yl)acetic acid

C10H19NO2 — CID 65075692

IUPAC2-(1-ethylazepan-4-yl)acetic acid
SMILESCCN1CCCC(CC(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-11-6-3-4-9(5-7-11)8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHPKUFWDEXBMZCH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-ethylazepan-4-yl)acetic acid

2-(1-ethylazepan-4-yl)acetic acid (PubChem CID 65075692) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-ethylazepan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethylazepan-4-yl)acetic acid
PubChem CID65075692
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(1-ethylazepan-4-yl)acetic acid
SMILESCCN1CCCC(CC(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-11-6-3-4-9(5-7-11)8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHPKUFWDEXBMZCH-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
1,4-diethylazepane
CID 67522864
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-[4-(carboxymethyl)-1,4,8-triazabicyclo[6.6.2]hexadecan-11-yl]acetic acid
CID 67426913
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylazepan-4-yl)acetic acid?
The IUPAC name of 2-(1-ethylazepan-4-yl)acetic acid (CID 65075692) is 2-(1-ethylazepan-4-yl)acetic acid.
What is the SMILES notation for 2-(1-ethylazepan-4-yl)acetic acid?
The canonical SMILES for 2-(1-ethylazepan-4-yl)acetic acid is CCN1CCCC(CC(=O)O)CC1.
What is the InChIKey of 2-(1-ethylazepan-4-yl)acetic acid?
The InChIKey is HPKUFWDEXBMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-11-6-3-4-9(5-7-11)8-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(1-ethylazepan-4-yl)acetic acid?
2-(1-ethylazepan-4-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylazepan-4-yl)acetic acid is sourced from PubChem (CID 65075692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).