2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid

C18H25NO4 — CID 119206123

IUPAC2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-2-19(13-18(21)22)17(20)11-10-14-6-5-9-16(12-14)23-15-7-3-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,21,22)
InChIKeyDSARKRQZKRJXNE-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.87
Rot. Bonds8

About 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid

2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid (PubChem CID 119206123) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
PubChem CID119206123
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-2-19(13-18(21)22)17(20)11-10-14-6-5-9-16(12-14)23-15-7-3-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,21,22)
InChIKeyDSARKRQZKRJXNE-UHFFFAOYSA-N
XLogP2.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
2-(3-cyclopentyloxyanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55626488
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 119193500
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
(3-ethylphenoxy)cyclooctane
CID 91220327
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid?
The IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid (CID 119206123) is 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CCc1cccc(OC2CCCC2)c1.
What is the InChIKey of 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid?
The InChIKey is DSARKRQZKRJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-19(13-18(21)22)17(20)11-10-14-6-5-9-16(12-14)23-15-7-3-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,21,22).
What are the key properties of 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid?
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid is sourced from PubChem (CID 119206123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).