methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate

C11H13FN2O3 — CID 43665877

IUPACmethyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-17-10(15)4-5-14-11(16)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H,14,16)
InChIKeyHJKRBDFYTICSOV-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.70
Rot. Bonds4

About methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate

methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate (PubChem CID 43665877) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
PubChem CID43665877
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Namemethyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-17-10(15)4-5-14-11(16)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H,14,16)
InChIKeyHJKRBDFYTICSOV-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
CID 61317152
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate (CID 43665877) is methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(N)ccc1F.
What is the InChIKey of methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate?
The InChIKey is HJKRBDFYTICSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-17-10(15)4-5-14-11(16)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H,14,16).
What are the key properties of methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate?
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate has a molecular weight of 240.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 43665877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).