ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate

C15H19NO4 — CID 61410130

IUPACethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(C)cc1O)C1CC1
InChIInChI=1S/C15H19NO4/c1-3-20-14(18)9-16(11-5-6-11)15(19)12-7-4-10(2)8-13(12)17/h4,7-8,11,17H,3,5-6,9H2,1-2H3
InChIKeyZGLDJCKVOHVQKV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate

ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate (PubChem CID 61410130) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
PubChem CID61410130
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(C)cc1O)C1CC1
InChIInChI=1S/C15H19NO4/c1-3-20-14(18)9-16(11-5-6-11)15(19)12-7-4-10(2)8-13(12)17/h4,7-8,11,17H,3,5-6,9H2,1-2H3
InChIKeyZGLDJCKVOHVQKV-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate (CID 61410130) is ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc(C)cc1O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate?
The InChIKey is ZGLDJCKVOHVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-20-14(18)9-16(11-5-6-11)15(19)12-7-4-10(2)8-13(12)17/h4,7-8,11,17H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 61410130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).