ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate

C11H20N2O4 — CID 103338915

IUPACethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate
SMILESC=CCN(CCOC)C(=O)C(N)C(=O)OCC
InChIInChI=1S/C11H20N2O4/c1-4-6-13(7-8-16-3)10(14)9(12)11(15)17-5-2/h4,9H,1,5-8,12H2,2-3H3
InChIKeyKEKNXNZGAVXMKC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds8

About ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate

ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate (PubChem CID 103338915) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate
PubChem CID103338915
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate
SMILESC=CCN(CCOC)C(=O)C(N)C(=O)OCC
InChIInChI=1S/C11H20N2O4/c1-4-6-13(7-8-16-3)10(14)9(12)11(15)17-5-2/h4,9H,1,5-8,12H2,2-3H3
InChIKeyKEKNXNZGAVXMKC-UHFFFAOYSA-N
XLogP-0.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(alpha-acetamido-alpha-ethoxycarbonylacetyl)sarcosinate
CID 177896168
Ethyl 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-3-oxopropanoate
CID 20161373
Diethyl 2-[[2-[methyl(prop-2-enyl)amino]acetyl]amino]propanedioate
CID 21130084
methyl 2-[[(2S)-2-amino-3-prop-2-enoxypropanoyl]amino]acetate
CID 86671358
Diethyl 2-[[2-(prop-2-enylamino)acetyl]amino]propanedioate
CID 88289967
methyl 3-[[(2S)-1-amino-1-oxobutan-2-yl]-prop-2-enylamino]-3-oxopropanoate
CID 89132097
prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate
CID 24864950
Methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 55153272
Ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
Ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
CID 61498840
Ethyl 3-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
CID 62011634
Ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 62012946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate (CID 103338915) is ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate is C=CCN(CCOC)C(=O)C(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate?
The InChIKey is KEKNXNZGAVXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-6-13(7-8-16-3)10(14)9(12)11(15)17-5-2/h4,9H,1,5-8,12H2,2-3H3.
What are the key properties of ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate?
ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate has a molecular weight of 244.29 g/mol, XLogP of -0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[2-methoxyethyl(prop-2-enyl)amino]-3-oxopropanoate is sourced from PubChem (CID 103338915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).