methyl 3-amino-3-pyridin-2-ylbutanoate

C10H14N2O2 — CID 75356319

IUPACmethyl 3-amino-3-pyridin-2-ylbutanoate
SMILESCOC(=O)CC(C)(N)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-10(11,7-9(13)14-2)8-5-3-4-6-12-8/h3-6H,7,11H2,1-2H3
InChIKeyUAIGEKBUXLVDJD-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.82
Rot. Bonds3

About methyl 3-amino-3-pyridin-2-ylbutanoate

methyl 3-amino-3-pyridin-2-ylbutanoate (PubChem CID 75356319) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-amino-3-pyridin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-pyridin-2-ylbutanoate
PubChem CID75356319
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 3-amino-3-pyridin-2-ylbutanoate
SMILESCOC(=O)CC(C)(N)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-10(11,7-9(13)14-2)8-5-3-4-6-12-8/h3-6H,7,11H2,1-2H3
InChIKeyUAIGEKBUXLVDJD-UHFFFAOYSA-N
XLogP0.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyridin-2-yl)propanoic acid
CID 564292
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate
CID 614258
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
Ethyl 4-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 16190550
3-(5-Ethyl-2-pyridinyl)propanoic acid
CID 411803
3-Pyridin-2-ylalanine
CID 2761499
(RS)-phenyl-pyridin-2-yl-acetic acid methyl ester
CID 3346835
3-Pyridin-2-yl-L-alanine
CID 4210406

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-pyridin-2-ylbutanoate?
The IUPAC name of methyl 3-amino-3-pyridin-2-ylbutanoate (CID 75356319) is methyl 3-amino-3-pyridin-2-ylbutanoate.
What is the SMILES notation for methyl 3-amino-3-pyridin-2-ylbutanoate?
The canonical SMILES for methyl 3-amino-3-pyridin-2-ylbutanoate is COC(=O)CC(C)(N)c1ccccn1.
What is the InChIKey of methyl 3-amino-3-pyridin-2-ylbutanoate?
The InChIKey is UAIGEKBUXLVDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(11,7-9(13)14-2)8-5-3-4-6-12-8/h3-6H,7,11H2,1-2H3.
What are the key properties of methyl 3-amino-3-pyridin-2-ylbutanoate?
methyl 3-amino-3-pyridin-2-ylbutanoate has a molecular weight of 194.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-pyridin-2-ylbutanoate is sourced from PubChem (CID 75356319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).