2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid

C12H21NO4 — CID 79457520

IUPAC2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO4/c14-11(8-10-4-2-1-3-5-10)13-6-7-17-9-12(15)16/h10H,1-9H2,(H,13,14)(H,15,16)
InChIKeyXNVCANBIGQJNLP-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

About 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid

2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid (PubChem CID 79457520) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
PubChem CID79457520
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO4/c14-11(8-10-4-2-1-3-5-10)13-6-7-17-9-12(15)16/h10H,1-9H2,(H,13,14)(H,15,16)
InChIKeyXNVCANBIGQJNLP-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
2-[2-(cycloheptylamino)ethoxy]acetic acid
CID 82934150
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid (CID 79457520) is 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid?
The InChIKey is XNVCANBIGQJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-11(8-10-4-2-1-3-5-10)13-6-7-17-9-12(15)16/h10H,1-9H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid?
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).