methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate

C11H14N2O4 — CID 123548943

IUPACmethyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cnc(OC)c(C=O)c1
InChIInChI=1S/C11H14N2O4/c1-16-10-8(6-14)3-7(5-13-10)4-9(12)11(15)17-2/h3,5-6,9H,4,12H2,1-2H3/t9-/m1/s1
InChIKeyONDSPISASNWFJG-SECBINFHSA-N
MW238.24 g/mol
LogP-0.05
Rot. Bonds5

About methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate

methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate (PubChem CID 123548943) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
PubChem CID123548943
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cnc(OC)c(C=O)c1
InChIInChI=1S/C11H14N2O4/c1-16-10-8(6-14)3-7(5-13-10)4-9(12)11(15)17-2/h3,5-6,9H,4,12H2,1-2H3/t9-/m1/s1
InChIKeyONDSPISASNWFJG-SECBINFHSA-N
XLogP-0.05
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
methyl (2S)-2-amino-3-(5-hydroxy-3-pyridinyl)propanoate
CID 55252997
methyl (2S)-2-amino-3-(3-formylphenyl)propanoate
CID 123194061
methyl (2S)-2-amino-3-[4-[(4-formylphenyl)methyl]phenyl]propanoate
CID 87405102
methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
CID 18637046
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate (CID 123548943) is methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate is COC(=O)[C@H](N)Cc1cnc(OC)c(C=O)c1.
What is the InChIKey of methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate?
The InChIKey is ONDSPISASNWFJG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-10-8(6-14)3-7(5-13-10)4-9(12)11(15)17-2/h3,5-6,9H,4,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate?
methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate has a molecular weight of 238.24 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 123548943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).