2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate

C14H20N2O4 — CID 67301170

IUPAC2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate
SMILESCC1CC1OC(=O)CCc1cccnc1.NCC(=O)O
InChIInChI=1S/C12H15NO2.C2H5NO2/c1-9-7-11(9)15-12(14)5-4-10-3-2-6-13-8-10;3-1-2(4)5/h2-3,6,8-9,11H,4-5,7H2,1H3;1,3H2,(H,4,5)
InChIKeyYFXWUYMNMBSXRX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.00
Rot. Bonds5

About 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate

2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate (PubChem CID 67301170) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Name2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate
PubChem CID67301170
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate
SMILESCC1CC1OC(=O)CCc1cccnc1.NCC(=O)O
InChIInChI=1S/C12H15NO2.C2H5NO2/c1-9-7-11(9)15-12(14)5-4-10-3-2-6-13-8-10;3-1-2(4)5/h2-3,6,8-9,11H,4-5,7H2,1H3;1,3H2,(H,4,5)
InChIKeyYFXWUYMNMBSXRX-UHFFFAOYSA-N
XLogP1.00
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980
[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
3-phenylpropanoyl chloride;pyridin-3-ylmethanamine
CID 158248172
ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
CID 61410175
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate?
The IUPAC name of 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate (CID 67301170) is 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate.
What is the SMILES notation for 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate?
The canonical SMILES for 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate is CC1CC1OC(=O)CCc1cccnc1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate?
The InChIKey is YFXWUYMNMBSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H5NO2/c1-9-7-11(9)15-12(14)5-4-10-3-2-6-13-8-10;3-1-2(4)5/h2-3,6,8-9,11H,4-5,7H2,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate?
2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate has a molecular weight of 280.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate is sourced from PubChem (CID 67301170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).