ethyl 2-[[(E)-but-2-enyl]amino]propanoate

C9H17NO2 — CID 10866780

IUPACethyl 2-[[(E)-but-2-enyl]amino]propanoate
SMILESC/C=C/CNC(C)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10-8(3)9(11)12-5-2/h4,6,8,10H,5,7H2,1-3H3/b6-4+
InChIKeyIKLJIBLJNRIGCY-GQCTYLIASA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-[[(E)-but-2-enyl]amino]propanoate

ethyl 2-[[(E)-but-2-enyl]amino]propanoate (PubChem CID 10866780) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[[(E)-but-2-enyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(E)-but-2-enyl]amino]propanoate
PubChem CID10866780
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[[(E)-but-2-enyl]amino]propanoate
SMILESC/C=C/CNC(C)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10-8(3)9(11)12-5-2/h4,6,8,10H,5,7H2,1-3H3/b6-4+
InChIKeyIKLJIBLJNRIGCY-GQCTYLIASA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[[(E)-but-2-enyl]amino]propanoate 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

ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
CID 172703702
CID 172703702
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-but-2-enyl]amino]propanoate?
The IUPAC name of ethyl 2-[[(E)-but-2-enyl]amino]propanoate (CID 10866780) is ethyl 2-[[(E)-but-2-enyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[(E)-but-2-enyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[(E)-but-2-enyl]amino]propanoate is C/C=C/CNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(E)-but-2-enyl]amino]propanoate?
The InChIKey is IKLJIBLJNRIGCY-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-10-8(3)9(11)12-5-2/h4,6,8,10H,5,7H2,1-3H3/b6-4+.
What are the key properties of ethyl 2-[[(E)-but-2-enyl]amino]propanoate?
ethyl 2-[[(E)-but-2-enyl]amino]propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-but-2-enyl]amino]propanoate is sourced from PubChem (CID 10866780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).