ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide

C10H20N4O5 — CID 23499498

IUPACethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide
SMILESCCOC(=O)C(CN)NCC(C)=O.NC(=O)C(N)=O
InChIInChI=1S/C8H16N2O3.C2H4N2O2/c1-3-13-8(12)7(4-9)10-5-6(2)11;3-1(5)2(4)6/h7,10H,3-5,9H2,1-2H3;(H2,3,5)(H2,4,6)
InChIKeyRSIPCIOQGKOJPR-UHFFFAOYSA-N
MW276.29 g/mol
LogP-2.99
Rot. Bonds6

About ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide

ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide (PubChem CID 23499498) has the molecular formula C10H20N4O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide
PubChem CID23499498
Molecular FormulaC10H20N4O5
Molecular Weight276.29 g/mol
Exact Mass276.14
IUPAC Nameethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide
SMILESCCOC(=O)C(CN)NCC(C)=O.NC(=O)C(N)=O
InChIInChI=1S/C8H16N2O3.C2H4N2O2/c1-3-13-8(12)7(4-9)10-5-6(2)11;3-1(5)2(4)6/h7,10H,3-5,9H2,1-2H3;(H2,3,5)(H2,4,6)
InChIKeyRSIPCIOQGKOJPR-UHFFFAOYSA-N
XLogP-2.99
TPSA167.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 71325705
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ethyl 5-amino-2-(methylamino)pentanoate
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CID 61001695
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide?
The IUPAC name of ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide (CID 23499498) is ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide.
What is the SMILES notation for ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide?
The canonical SMILES for ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide is CCOC(=O)C(CN)NCC(C)=O.NC(=O)C(N)=O.
What is the InChIKey of ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide?
The InChIKey is RSIPCIOQGKOJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.C2H4N2O2/c1-3-13-8(12)7(4-9)10-5-6(2)11;3-1(5)2(4)6/h7,10H,3-5,9H2,1-2H3;(H2,3,5)(H2,4,6).
What are the key properties of ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide?
ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide has a molecular weight of 276.29 g/mol, XLogP of -2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide is sourced from PubChem (CID 23499498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).