2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid

C14H27NO3 — CID 65087606

IUPAC2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCC1CCCC(N(CCOC)CC(=O)O)CC1
InChIInChI=1S/C14H27NO3/c1-3-12-5-4-6-13(8-7-12)15(9-10-18-2)11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGIXGCHSCUDSHKF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds7

About 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid

2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 65087606) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID65087606
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCC1CCCC(N(CCOC)CC(=O)O)CC1
InChIInChI=1S/C14H27NO3/c1-3-12-5-4-6-13(8-7-12)15(9-10-18-2)11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGIXGCHSCUDSHKF-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
2-[2-methoxyethyl(spiro[4.5]decan-8-yl)amino]acetic acid
CID 114820730
2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
CID 65067453
2-[(3-ethylcyclopentyl)-propylamino]acetic acid
CID 65064749
2-[2-methoxyethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565164
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
1-cyclopropyl-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 63914095
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid (CID 65087606) is 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid is CCC1CCCC(N(CCOC)CC(=O)O)CC1.
What is the InChIKey of 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GIXGCHSCUDSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-12-5-4-6-13(8-7-12)15(9-10-18-2)11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65087606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).