2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid

C13H21NO4 — CID 79469647

IUPAC2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H21NO4/c15-12(14-3-4-18-8-13(16)17)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWGAXAWJYQUPAED-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79469647) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
PubChem CID79469647
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H21NO4/c15-12(14-3-4-18-8-13(16)17)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWGAXAWJYQUPAED-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
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-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 11934978
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid (CID 79469647) is 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is WGAXAWJYQUPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-3-4-18-8-13(16)17)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79469647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).