methyl (Z)-3-(propylamino)but-2-enoate

C8H15NO2 — CID 10558878

IUPACmethyl (Z)-3-(propylamino)but-2-enoate
SMILESCCCN/C(C)=C\C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-9-7(2)6-8(10)11-3/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeySNULKSHOMYJVKT-SREVYHEPSA-N
MW157.21 g/mol
LogP1.06
Rot. Bonds4

About methyl (Z)-3-(propylamino)but-2-enoate

methyl (Z)-3-(propylamino)but-2-enoate (PubChem CID 10558878) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (Z)-3-(propylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(propylamino)but-2-enoate
PubChem CID10558878
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (Z)-3-(propylamino)but-2-enoate
SMILESCCCN/C(C)=C\C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-9-7(2)6-8(10)11-3/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeySNULKSHOMYJVKT-SREVYHEPSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-(methylamino)but-2-enoate
CID 5369131
Methyl 3-methylaminocrotonate
CID 5702622
methyl (E)-3-(methylamino)but-2-enoate
CID 5846045
2-Butenoic acid, 3-(methylamino)-, ethyl ester
CID 247452
Methyl 3-(methylamino)but-2-enoate
CID 2734182
Ethyl 3-(methylamino)-2-butenoate
CID 6112842
methyl (2Z)-3-[(2-{[(1Z)-2-(methoxycarbonyl)-1-methylvinyl]amino}ethyl)amino]b ut-2-enoate
CID 24207012
Ethyl 3-butylaminocrotonate
CID 11788689
Methyl (z)-3-[(2-hydroxyethyl)amino]but-2-enoate
CID 12722161
(Z)-3-Isopropylamino-but-2-enoic acid ethyl ester
CID 12127897
ethyl (E)-3-(2-hydroxyethylamino)but-2-enoate
CID 6309471
Bis(ethyl-acetoacetate)ethylenediimine
CID 5708205

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(propylamino)but-2-enoate?
The IUPAC name of methyl (Z)-3-(propylamino)but-2-enoate (CID 10558878) is methyl (Z)-3-(propylamino)but-2-enoate.
What is the SMILES notation for methyl (Z)-3-(propylamino)but-2-enoate?
The canonical SMILES for methyl (Z)-3-(propylamino)but-2-enoate is CCCN/C(C)=C\C(=O)OC.
What is the InChIKey of methyl (Z)-3-(propylamino)but-2-enoate?
The InChIKey is SNULKSHOMYJVKT-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-9-7(2)6-8(10)11-3/h6,9H,4-5H2,1-3H3/b7-6-.
What are the key properties of methyl (Z)-3-(propylamino)but-2-enoate?
methyl (Z)-3-(propylamino)but-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(propylamino)but-2-enoate is sourced from PubChem (CID 10558878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).