methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate

C13H17FN2O2 — CID 83119001

IUPACmethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(NCC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O2/c1-13(12(17)18-2,16-7-9-3-4-9)11-6-5-10(14)8-15-11/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyRQSPCDDYLMBFBL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.61
Rot. Bonds5

About methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate

methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate (PubChem CID 83119001) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
PubChem CID83119001
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(NCC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O2/c1-13(12(17)18-2,16-7-9-3-4-9)11-6-5-10(14)8-15-11/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyRQSPCDDYLMBFBL-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate (CID 83119001) is methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate is COC(=O)C(C)(NCC1CC1)c1ccc(F)cn1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The InChIKey is RQSPCDDYLMBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(12(17)18-2,16-7-9-3-4-9)11-6-5-10(14)8-15-11/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate has a molecular weight of 252.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate is sourced from PubChem (CID 83119001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).