ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate

C10H16N2O3 — CID 114409125

IUPACethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)N1CC=CCC1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(14)8(11)9(13)12-6-4-3-5-7-12/h3-4,8H,2,5-7,11H2,1H3
InChIKeyFHTVGFHEXKBBJB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.33
Rot. Bonds3

About ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate

ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate (PubChem CID 114409125) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
PubChem CID114409125
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)N1CC=CCC1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(14)8(11)9(13)12-6-4-3-5-7-12/h3-4,8H,2,5-7,11H2,1H3
InChIKeyFHTVGFHEXKBBJB-UHFFFAOYSA-N
XLogP-0.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-oxo-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 114489920
Ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate
CID 103338915
2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313745
ethyl 2-amino-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
CID 106313759
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxypropan-1-one
CID 114408789
ethyl 2-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
CID 114409532
ethyl 2-amino-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanoate
CID 114409895
ethyl 2-amino-3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate
CID 114460035
Ethyl 2-amino-3-oxo-3-(prop-2-enylamino)propanoate
CID 116457421
Ethyl 2-amino-3-[bis(prop-2-enyl)amino]-3-oxopropanoate
CID 116457424
Ethyl 2-amino-3-[ethyl(2-methylprop-2-enyl)amino]-3-oxopropanoate
CID 116457425
Ethyl 2-amino-3-oxo-3-[propan-2-yl(prop-2-enyl)amino]propanoate
CID 116458233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate?
The IUPAC name of ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate (CID 114409125) is ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate.
What is the SMILES notation for ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate?
The canonical SMILES for ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate is CCOC(=O)C(N)C(=O)N1CC=CCC1.
What is the InChIKey of ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate?
The InChIKey is FHTVGFHEXKBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-15-10(14)8(11)9(13)12-6-4-3-5-7-12/h3-4,8H,2,5-7,11H2,1H3.
What are the key properties of ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate?
ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate has a molecular weight of 212.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanoate is sourced from PubChem (CID 114409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).