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

C19H27NO5 — CID 120529887

IUPAC2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C19H27NO5/c1-4-13(2)20(12-18(21)22)19(23)14-9-10-16(24-3)17(11-14)25-15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,21,22)
InChIKeyVJWKMGAXKOZWTF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.34
Rot. Bonds8

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

2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid (PubChem CID 120529887) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
PubChem CID120529887
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C19H27NO5/c1-4-13(2)20(12-18(21)22)19(23)14-9-10-16(24-3)17(11-14)25-15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,21,22)
InChIKeyVJWKMGAXKOZWTF-UHFFFAOYSA-N
XLogP3.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetic acid
CID 119954510
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-butan-2-ylamino]acetic acid
CID 119954727
2-[(3-bromo-4-methoxybenzoyl)-butan-2-ylamino]acetic acid
CID 60829055
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681
3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
CID 119191501
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid (CID 120529887) is 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid?
The InChIKey is VJWKMGAXKOZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-13(2)20(12-18(21)22)19(23)14-9-10-16(24-3)17(11-14)25-15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid?
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid has a molecular weight of 349.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 120529887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).