2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid

C12H16N2O2 — CID 61002220

IUPAC2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-12(11(15)16,14-7-9-4-5-9)10-3-2-6-13-8-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMLLYYGMFNRHUNY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid

2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid (PubChem CID 61002220) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
PubChem CID61002220
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-12(11(15)16,14-7-9-4-5-9)10-3-2-6-13-8-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMLLYYGMFNRHUNY-UHFFFAOYSA-N
XLogP1.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid (CID 61002220) is 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid is CC(NCC1CC1)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is MLLYYGMFNRHUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(11(15)16,14-7-9-4-5-9)10-3-2-6-13-8-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid?
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 61002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).