ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate

C10H13FN2O2 — CID 66518197

IUPACethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
SMILESCCOC(=O)C(N)Cc1cccnc1F
InChIInChI=1S/C10H13FN2O2/c1-2-15-10(14)8(12)6-7-4-3-5-13-9(7)11/h3-5,8H,2,6,12H2,1H3
InChIKeyNYEREXQKOBHWMS-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate

ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate (PubChem CID 66518197) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
PubChem CID66518197
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
SMILESCCOC(=O)C(N)Cc1cccnc1F
InChIInChI=1S/C10H13FN2O2/c1-2-15-10(14)8(12)6-7-4-3-5-13-9(7)11/h3-5,8H,2,6,12H2,1H3
InChIKeyNYEREXQKOBHWMS-UHFFFAOYSA-N
XLogP0.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate (CID 66518197) is ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate is CCOC(=O)C(N)Cc1cccnc1F.
What is the InChIKey of ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate?
The InChIKey is NYEREXQKOBHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-15-10(14)8(12)6-7-4-3-5-13-9(7)11/h3-5,8H,2,6,12H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate?
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate has a molecular weight of 212.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate is sourced from PubChem (CID 66518197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).