2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid

C19H25NO5 — CID 167903833

IUPAC2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(OC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H25NO5/c21-18(22)13-20(15-9-11-24-12-10-15)19(23)14-5-7-17(8-6-14)25-16-3-1-2-4-16/h5-8,15-16H,1-4,9-13H2,(H,21,22)
InChIKeyKGMXFQATRTVQFF-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.71
Rot. Bonds6

About 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid

2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 167903833) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
PubChem CID167903833
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(OC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C19H25NO5/c21-18(22)13-20(15-9-11-24-12-10-15)19(23)14-5-7-17(8-6-14)25-16-3-1-2-4-16/h5-8,15-16H,1-4,9-13H2,(H,21,22)
InChIKeyKGMXFQATRTVQFF-UHFFFAOYSA-N
XLogP2.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[[4-(3-fluorophenoxy)benzoyl]-(oxan-4-yl)amino]acetic acid
CID 119211384
4-[[4-(oxan-4-yloxy)benzoyl]amino]butanoic acid
CID 119171028
3-[(4-ethoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146346
2-[methyl-[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119209529
2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 75469156
3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea
CID 84585403
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
2-[oxan-4-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]acetic acid
CID 126792181
2-[cyclopentyl(1H-indole-5-carbonyl)amino]acetic acid
CID 63748053

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid (CID 167903833) is 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)c1ccc(OC2CCCC2)cc1)C1CCOCC1.
What is the InChIKey of 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is KGMXFQATRTVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c21-18(22)13-20(15-9-11-24-12-10-15)19(23)14-5-7-17(8-6-14)25-16-3-1-2-4-16/h5-8,15-16H,1-4,9-13H2,(H,21,22).
What are the key properties of 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid?
2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 347.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 167903833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).