2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid

C20H27NO6 — CID 126775681

IUPAC2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C20H27NO6/c1-25-18-12-14(6-7-17(18)27-16-4-2-3-5-16)20(24)21(13-19(22)23)15-8-10-26-11-9-15/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,22,23)
InChIKeyHRVKKDFLAMCYHE-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.72
Rot. Bonds7

About 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid

2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 126775681) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
PubChem CID126775681
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C20H27NO6/c1-25-18-12-14(6-7-17(18)27-16-4-2-3-5-16)20(24)21(13-19(22)23)15-8-10-26-11-9-15/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,22,23)
InChIKeyHRVKKDFLAMCYHE-UHFFFAOYSA-N
XLogP2.72
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 167903833
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
CID 119191501
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
CID 120529887
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid (CID 126775681) is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid is COc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC1CCCC1.
What is the InChIKey of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is HRVKKDFLAMCYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6/c1-25-18-12-14(6-7-17(18)27-16-4-2-3-5-16)20(24)21(13-19(22)23)15-8-10-26-11-9-15/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid?
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 126775681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).