ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate

C11H16N2O2 — CID 81311502

IUPACethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(C)cn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)6-9(12)10-5-4-8(2)7-13-10/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyQVUNKCRNTGNTTI-SECBINFHSA-N
MW208.26 g/mol
LogP1.34
Rot. Bonds4

About ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate

ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate (PubChem CID 81311502) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
PubChem CID81311502
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(C)cn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)6-9(12)10-5-4-8(2)7-13-10/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyQVUNKCRNTGNTTI-SECBINFHSA-N
XLogP1.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
CID 55276746
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate
CID 86758025
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate;hydrochloride
CID 86758024
2-(5-methyl-2-pyridinyl)propanamide
CID 67185954
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate (CID 81311502) is ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate is CCOC(=O)C[C@@H](N)c1ccc(C)cn1.
What is the InChIKey of ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate?
The InChIKey is QVUNKCRNTGNTTI-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)6-9(12)10-5-4-8(2)7-13-10/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate?
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 81311502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).