2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid

C12H15FN2O2 — CID 83119000

IUPAC2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2O2/c1-12(11(16)17,15-6-8-2-3-8)10-5-4-9(13)7-14-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyVBRUXGLNWOYNMW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid

2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid (PubChem CID 83119000) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
PubChem CID83119000
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2O2/c1-12(11(16)17,15-6-8-2-3-8)10-5-4-9(13)7-14-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyVBRUXGLNWOYNMW-UHFFFAOYSA-N
XLogP1.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119830
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid (CID 83119000) is 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid is CC(NCC1CC1)(C(=O)O)c1ccc(F)cn1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid?
The InChIKey is VBRUXGLNWOYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(11(16)17,15-6-8-2-3-8)10-5-4-9(13)7-14-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid?
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 83119000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).