(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate

C11H14FNO3 — CID 94260078

IUPAC(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
SMILESCOc1ccc(F)cc1COC(=O)CCN
InChIInChI=1S/C11H14FNO3/c1-15-10-3-2-9(12)6-8(10)7-16-11(14)4-5-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHVZBNHIPVCERHK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.23
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate

(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate (PubChem CID 94260078) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
PubChem CID94260078
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
SMILESCOc1ccc(F)cc1COC(=O)CCN
InChIInChI=1S/C11H14FNO3/c1-15-10-3-2-9(12)6-8(10)7-16-11(14)4-5-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHVZBNHIPVCERHK-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
bis[(5-fluoro-2-methoxyphenyl)methyl] (E)-but-2-enedioate
CID 9010730
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
(5-fluoro-2-methoxyphenyl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948709
(5-fluoro-2-methoxyphenyl)methyl N,N-bis(sulfanylmethyl)carbamate
CID 88848186
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
(2,5-dimethoxyphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541598
(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375750
(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684392
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate (CID 94260078) is (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate is COc1ccc(F)cc1COC(=O)CCN.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate?
The InChIKey is HVZBNHIPVCERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-10-3-2-9(12)6-8(10)7-16-11(14)4-5-13/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate?
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate has a molecular weight of 227.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate is sourced from PubChem (CID 94260078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).