ethyl 2-(3-methylbut-3-enylamino)propanoate

C10H19NO2 — CID 114472161

IUPACethyl 2-(3-methylbut-3-enylamino)propanoate
SMILESC=C(C)CCNC(C)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-13-10(12)9(4)11-7-6-8(2)3/h9,11H,2,5-7H2,1,3-4H3
InChIKeyBASOIKKFOZENJM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds6

About ethyl 2-(3-methylbut-3-enylamino)propanoate

ethyl 2-(3-methylbut-3-enylamino)propanoate (PubChem CID 114472161) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(3-methylbut-3-enylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-methylbut-3-enylamino)propanoate
PubChem CID114472161
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(3-methylbut-3-enylamino)propanoate
SMILESC=C(C)CCNC(C)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-13-10(12)9(4)11-7-6-8(2)3/h9,11H,2,5-7H2,1,3-4H3
InChIKeyBASOIKKFOZENJM-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbut-3-enylamino)propanamide
CID 114472047
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
CID 172703702
CID 172703702
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-(fluoroamino)propanoate
CID 89108988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylbut-3-enylamino)propanoate?
The IUPAC name of ethyl 2-(3-methylbut-3-enylamino)propanoate (CID 114472161) is ethyl 2-(3-methylbut-3-enylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-methylbut-3-enylamino)propanoate?
The canonical SMILES for ethyl 2-(3-methylbut-3-enylamino)propanoate is C=C(C)CCNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-methylbut-3-enylamino)propanoate?
The InChIKey is BASOIKKFOZENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-13-10(12)9(4)11-7-6-8(2)3/h9,11H,2,5-7H2,1,3-4H3.
What are the key properties of ethyl 2-(3-methylbut-3-enylamino)propanoate?
ethyl 2-(3-methylbut-3-enylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylbut-3-enylamino)propanoate is sourced from PubChem (CID 114472161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).