ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate

C10H15N3O2 — CID 115527131

IUPACethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccnc(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)6-8(11)9-4-5-12-7(2)13-9/h4-5,8H,3,6,11H2,1-2H3/t8-/m1/s1
InChIKeyUABTZPGYDQBWOY-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds4

About ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate

ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate (PubChem CID 115527131) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
PubChem CID115527131
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccnc(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)6-8(11)9-4-5-12-7(2)13-9/h4-5,8H,3,6,11H2,1-2H3/t8-/m1/s1
InChIKeyUABTZPGYDQBWOY-MRVPVSSYSA-N
XLogP0.74
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
methyl 4-amino-3-(2-methylpyrimidin-4-yl)hexanoate
CID 115529888
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
CID 115530358
1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
CID 82400121
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate
CID 86758025
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate (CID 115527131) is ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate is CCOC(=O)C[C@@H](N)c1ccnc(C)n1.
What is the InChIKey of ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate?
The InChIKey is UABTZPGYDQBWOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)6-8(11)9-4-5-12-7(2)13-9/h4-5,8H,3,6,11H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate?
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate is sourced from PubChem (CID 115527131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).