3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid

C10H15N3O2 — CID 55209592

IUPAC3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-2-13(7-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyMFUOVTZHZPVKBP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds6

About 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid

3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid (PubChem CID 55209592) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
PubChem CID55209592
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-2-13(7-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyMFUOVTZHZPVKBP-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
2-bromo-N-ethyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 80679726
3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76954513
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
CID 62698830
N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698388
3-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]propanoic acid
CID 103173485
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
3-[(3,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 54898747
3-[ethyl(1H-imidazol-5-ylmethyl)amino]propanoic acid
CID 84758753

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid (CID 55209592) is 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid is CCN(CCC(=O)O)Cc1ncccn1.
What is the InChIKey of 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is MFUOVTZHZPVKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-13(7-4-10(14)15)8-9-11-5-3-6-12-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,15).
What are the key properties of 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid?
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 55209592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).