methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate

C10H11ClFNO2 — CID 112704539

IUPACmethyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)9(13)5-6-4-7(12)2-3-8(6)11/h2-4,9H,5,13H2,1H3
InChIKeyJBGDKFPVXWBKQW-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate

methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate (PubChem CID 112704539) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate
PubChem CID112704539
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namemethyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)9(13)5-6-4-7(12)2-3-8(6)11/h2-4,9H,5,13H2,1H3
InChIKeyJBGDKFPVXWBKQW-UHFFFAOYSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fenclonine
CID 4652
4-Chloro-L-phenylalanine
CID 736190
(2R)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 667429
Phenylalanine, 4-chloro-, methyl ester
CID 26532
3-chloro-L-phenylalanine
CID 2761492
2-Chloro-L-phenylalanine
CID 2761491
Methyl L-phenylalaninate hydrochloride
CID 75736
Ethyl 3-phenyl-DL-alaninate
CID 102688
L-Phenylalanine, methyl ester
CID 736234
CID 6926425
CID 6926425
2-(2-Chlorophenyl)glycine
CID 290729
(R)-Methyl 2-amino-3-phenylpropanoate
CID 853474

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate (CID 112704539) is methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate is COC(=O)C(N)Cc1cc(F)ccc1Cl.
What is the InChIKey of methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate?
The InChIKey is JBGDKFPVXWBKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-10(14)9(13)5-6-4-7(12)2-3-8(6)11/h2-4,9H,5,13H2,1H3.
What are the key properties of methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate?
methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate has a molecular weight of 231.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-chloro-5-fluorophenyl)propanoate is sourced from PubChem (CID 112704539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).