methyl 2-(pyrimidin-2-ylmethylamino)propanoate

C9H13N3O2 — CID 62699544

IUPACmethyl 2-(pyrimidin-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ncccn1
InChIInChI=1S/C9H13N3O2/c1-7(9(13)14-2)12-6-8-10-4-3-5-11-8/h3-5,7,12H,6H2,1-2H3
InChIKeyQTZGRYJLUPYAOA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.13
Rot. Bonds4

About methyl 2-(pyrimidin-2-ylmethylamino)propanoate

methyl 2-(pyrimidin-2-ylmethylamino)propanoate (PubChem CID 62699544) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(pyrimidin-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(pyrimidin-2-ylmethylamino)propanoate
PubChem CID62699544
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 2-(pyrimidin-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ncccn1
InChIInChI=1S/C9H13N3O2/c1-7(9(13)14-2)12-6-8-10-4-3-5-11-8/h3-5,7,12H,6H2,1-2H3
InChIKeyQTZGRYJLUPYAOA-UHFFFAOYSA-N
XLogP0.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
methyl 2-[(2,4,5-trimethylphenyl)methylamino]propanoate
CID 60781980
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
CID 171618148
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
methyl (2S)-2-[(2-phenylpyrimidin-4-yl)methylamino]propanoate
CID 167991231

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrimidin-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(pyrimidin-2-ylmethylamino)propanoate (CID 62699544) is methyl 2-(pyrimidin-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(pyrimidin-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(pyrimidin-2-ylmethylamino)propanoate is COC(=O)C(C)NCc1ncccn1.
What is the InChIKey of methyl 2-(pyrimidin-2-ylmethylamino)propanoate?
The InChIKey is QTZGRYJLUPYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(9(13)14-2)12-6-8-10-4-3-5-11-8/h3-5,7,12H,6H2,1-2H3.
What are the key properties of methyl 2-(pyrimidin-2-ylmethylamino)propanoate?
methyl 2-(pyrimidin-2-ylmethylamino)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrimidin-2-ylmethylamino)propanoate is sourced from PubChem (CID 62699544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).