ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate

C13H15FN2O3 — CID 115694608

IUPACethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-2-19-12(17)8-16(11-3-4-11)13(18)9-5-10(14)7-15-6-9/h5-7,11H,2-4,8H2,1H3
InChIKeyORMIRYHGCQGULL-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.39
Rot. Bonds5

About ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate

ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate (PubChem CID 115694608) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
PubChem CID115694608
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C13H15FN2O3/c1-2-19-12(17)8-16(11-3-4-11)13(18)9-5-10(14)7-15-6-9/h5-7,11H,2-4,8H2,1H3
InChIKeyORMIRYHGCQGULL-UHFFFAOYSA-N
XLogP1.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104786244
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
CID 104785864
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 54983831
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate (CID 115694608) is ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1cncc(F)c1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate?
The InChIKey is ORMIRYHGCQGULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-19-12(17)8-16(11-3-4-11)13(18)9-5-10(14)7-15-6-9/h5-7,11H,2-4,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate has a molecular weight of 266.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 115694608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).