2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid

C14H17NO5 — CID 60825353

IUPAC2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-19-11-5-9(6-12(7-11)20-2)14(18)15(8-13(16)17)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyUBHBYPYZZIWTHE-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds6

About 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid

2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid (PubChem CID 60825353) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
PubChem CID60825353
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-19-11-5-9(6-12(7-11)20-2)14(18)15(8-13(16)17)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyUBHBYPYZZIWTHE-UHFFFAOYSA-N
XLogP1.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 1199064
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
N-cyclopropyl-3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]benzamide
CID 5200612
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 1058909
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid (CID 60825353) is 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid is COc1cc(OC)cc(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid?
The InChIKey is UBHBYPYZZIWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-5-9(6-12(7-11)20-2)14(18)15(8-13(16)17)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid?
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 60825353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).