3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid

C18H25NO5 — CID 119191501

IUPAC3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)c(OC)c1
InChIInChI=1S/C18H25NO5/c1-3-19(11-10-17(20)21)18(22)13-8-9-15(16(12-13)23-2)24-14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyCHWBQKGSIUMRJU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.95
Rot. Bonds8

About 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid

3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid (PubChem CID 119191501) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
PubChem CID119191501
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)c(OC)c1
InChIInChI=1S/C18H25NO5/c1-3-19(11-10-17(20)21)18(22)13-8-9-15(16(12-13)23-2)24-14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyCHWBQKGSIUMRJU-UHFFFAOYSA-N
XLogP2.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]-ethylamino]propanoic acid
CID 119191439
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
CID 120529887
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid (CID 119191501) is 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)c(OC)c1.
What is the InChIKey of 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid?
The InChIKey is CHWBQKGSIUMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-3-19(11-10-17(20)21)18(22)13-8-9-15(16(12-13)23-2)24-14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid?
3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid is sourced from PubChem (CID 119191501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).