ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate

C11H22N2O5 — CID 19964836

IUPACethyl 3-aminopropanoate;ethyl 3-formamidopropanoate
SMILESCCOC(=O)CCN.CCOC(=O)CCNC=O
InChIInChI=1S/C6H11NO3.C5H11NO2/c1-2-10-6(9)3-4-7-5-8;1-2-8-5(7)3-4-6/h5H,2-4H2,1H3,(H,7,8);2-4,6H2,1H3
InChIKeyKDEXUVGVPAWLNG-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.42
Rot. Bonds8

About ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate

ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate (PubChem CID 19964836) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate.

Molecular Properties

Compound Nameethyl 3-aminopropanoate;ethyl 3-formamidopropanoate
PubChem CID19964836
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Nameethyl 3-aminopropanoate;ethyl 3-formamidopropanoate
SMILESCCOC(=O)CCN.CCOC(=O)CCNC=O
InChIInChI=1S/C6H11NO3.C5H11NO2/c1-2-10-6(9)3-4-7-5-8;1-2-8-5(7)3-4-6/h5H,2-4H2,1H3,(H,7,8);2-4,6H2,1H3
InChIKeyKDEXUVGVPAWLNG-UHFFFAOYSA-N
XLogP-0.42
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-formamidopropanoate;methyl propanoate
CID 145171236
ethyl (Z)-5-[(3-ethoxy-3-oxopropyl)amino]-3-oxopent-4-enoate
CID 131872737
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
propyl 7-formamidoheptanoate
CID 54319658
cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
CID 160592906
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
ethyl butanoate;formic acid
CID 160963123
diethyl 4-ethylideneheptanedioate
CID 52912519
ethyl 3-[[(Z)-dodec-9-enyl]amino]propanoate
CID 155420354

Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate?
The IUPAC name of ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate (CID 19964836) is ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate.
What is the SMILES notation for ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate?
The canonical SMILES for ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate is CCOC(=O)CCN.CCOC(=O)CCNC=O.
What is the InChIKey of ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate?
The InChIKey is KDEXUVGVPAWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C5H11NO2/c1-2-10-6(9)3-4-7-5-8;1-2-8-5(7)3-4-6/h5H,2-4H2,1H3,(H,7,8);2-4,6H2,1H3.
What are the key properties of ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate?
ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate has a molecular weight of 262.31 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate is sourced from PubChem (CID 19964836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).