2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid

C16H15N3O4 — CID 120517586

IUPAC2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(Oc2cnccn2)c1)C1CC1
InChIInChI=1S/C16H15N3O4/c20-15(21)10-19(12-4-5-12)16(22)11-2-1-3-13(8-11)23-14-9-17-6-7-18-14/h1-3,6-9,12H,4-5,10H2,(H,20,21)
InChIKeyLQHHGUFMBCTHSU-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.96
Rot. Bonds6

About 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid

2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid (PubChem CID 120517586) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
PubChem CID120517586
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(Oc2cnccn2)c1)C1CC1
InChIInChI=1S/C16H15N3O4/c20-15(21)10-19(12-4-5-12)16(22)11-2-1-3-13(8-11)23-14-9-17-6-7-18-14/h1-3,6-9,12H,4-5,10H2,(H,20,21)
InChIKeyLQHHGUFMBCTHSU-UHFFFAOYSA-N
XLogP1.96
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119442827
2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
CID 120518751
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282
N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide
CID 122141084
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid (CID 120517586) is 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid is O=C(O)CN(C(=O)c1cccc(Oc2cnccn2)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid?
The InChIKey is LQHHGUFMBCTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(21)10-19(12-4-5-12)16(22)11-2-1-3-13(8-11)23-14-9-17-6-7-18-14/h1-3,6-9,12H,4-5,10H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid?
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid is sourced from PubChem (CID 120517586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).