methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate

C13H19N3O3 — CID 103233877

IUPACmethyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
SMILESCOC(=O)C(CNCCc1ccccn1)NC(C)=O
InChIInChI=1S/C13H19N3O3/c1-10(17)16-12(13(18)19-2)9-14-8-6-11-5-3-4-7-15-11/h3-5,7,12,14H,6,8-9H2,1-2H3,(H,16,17)
InChIKeyLTFMVASLIMSQLW-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.11
Rot. Bonds7

About methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate

methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate (PubChem CID 103233877) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
PubChem CID103233877
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
SMILESCOC(=O)C(CNCCc1ccccn1)NC(C)=O
InChIInChI=1S/C13H19N3O3/c1-10(17)16-12(13(18)19-2)9-14-8-6-11-5-3-4-7-15-11/h3-5,7,12,14H,6,8-9H2,1-2H3,(H,16,17)
InChIKeyLTFMVASLIMSQLW-UHFFFAOYSA-N
XLogP-0.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
CID 103240330
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
CID 106419792
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate (CID 103233877) is methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate is COC(=O)C(CNCCc1ccccn1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate?
The InChIKey is LTFMVASLIMSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(17)16-12(13(18)19-2)9-14-8-6-11-5-3-4-7-15-11/h3-5,7,12,14H,6,8-9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate?
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate has a molecular weight of 265.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate is sourced from PubChem (CID 103233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).