ethyl 4-(2-methylprop-2-enylamino)butanoate

C10H19NO2 — CID 60687701

IUPACethyl 4-(2-methylprop-2-enylamino)butanoate
SMILESC=C(C)CNCCCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)6-5-7-11-8-9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyLMCJGGGDTJZPGW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds7

About ethyl 4-(2-methylprop-2-enylamino)butanoate

ethyl 4-(2-methylprop-2-enylamino)butanoate (PubChem CID 60687701) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 4-(2-methylprop-2-enylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methylprop-2-enylamino)butanoate
PubChem CID60687701
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 4-(2-methylprop-2-enylamino)butanoate
SMILESC=C(C)CNCCCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)6-5-7-11-8-9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyLMCJGGGDTJZPGW-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(ethylamino)butanoate
CID 13171987
Methyl 4-(prop-2-enylamino)butanoate
CID 43216351
4-(Butylamino)butyl 2-methylprop-2-enoate
CID 53687692
Ethyl 4-(propylamino)butanoate
CID 53834309
Butyl 4-(butylamino)butanoate
CID 53974752
Butyl 4-(prop-2-enylamino)butanoate
CID 54043239
Ethyl 4-(prop-2-enylamino)butanoate
CID 54298068
1-O-[4-(2-methylprop-2-enylamino)butyl] 4-O-propan-2-yl butanedioate
CID 58451792
Ethyl 4-(butylamino)butanoate
CID 60684542
Ethyl 4-(pent-4-enylamino)butanoate
CID 64580485
4-(Ethylamino)butyl 2-methylprop-2-enoate
CID 87067321
Ethyl 4-(ethylamino)-2-methylidenebutanoate
CID 87343969

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylprop-2-enylamino)butanoate?
The IUPAC name of ethyl 4-(2-methylprop-2-enylamino)butanoate (CID 60687701) is ethyl 4-(2-methylprop-2-enylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methylprop-2-enylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methylprop-2-enylamino)butanoate is C=C(C)CNCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(2-methylprop-2-enylamino)butanoate?
The InChIKey is LMCJGGGDTJZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-10(12)6-5-7-11-8-9(2)3/h11H,2,4-8H2,1,3H3.
What are the key properties of ethyl 4-(2-methylprop-2-enylamino)butanoate?
ethyl 4-(2-methylprop-2-enylamino)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylprop-2-enylamino)butanoate is sourced from PubChem (CID 60687701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).