methyl 2-(1-aminoethyl)pent-2-enoate

C8H15NO2 — CID 173355161

IUPACmethyl 2-(1-aminoethyl)pent-2-enoate
SMILESCCC=C(C(=O)OC)C(C)N
InChIInChI=1S/C8H15NO2/c1-4-5-7(6(2)9)8(10)11-3/h5-6H,4,9H2,1-3H3
InChIKeyXLNDNAXIGWMQGO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About methyl 2-(1-aminoethyl)pent-2-enoate

methyl 2-(1-aminoethyl)pent-2-enoate (PubChem CID 173355161) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(1-aminoethyl)pent-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1-aminoethyl)pent-2-enoate
PubChem CID173355161
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(1-aminoethyl)pent-2-enoate
SMILESCCC=C(C(=O)OC)C(C)N
InChIInChI=1S/C8H15NO2/c1-4-5-7(6(2)9)8(10)11-3/h5-6H,4,9H2,1-3H3
InChIKeyXLNDNAXIGWMQGO-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
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

methyl (E)-2-propan-2-ylpent-2-enoate
CID 10441923
2-methoxyethyl 2-propan-2-ylpent-2-enoate
CID 54402624
methyl 3-amino-2-ethylidenehexanoate
CID 173027771
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
methyl 4-amino-2-ethylidenepentanoate
CID 174726173
methyl 2-aminopropanoate
CID 159707893
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
methyl (E)-2-(diethoxymethyl)-3-hydroxyprop-2-enoate
CID 89407655
trimethyl (2S,3Z)-2-methylhexa-3,5-diene-1,1,3-tricarboxylate
CID 101333550
1-O-ethyl 1-O,2-O-dimethyl (Z)-hept-2-ene-1,1,2-tricarboxylate
CID 15211626
methyl 4-(2-aminopropylsulfanyl)-2-ethylbut-2-enoate
CID 77114948

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminoethyl)pent-2-enoate?
The IUPAC name of methyl 2-(1-aminoethyl)pent-2-enoate (CID 173355161) is methyl 2-(1-aminoethyl)pent-2-enoate.
What is the SMILES notation for methyl 2-(1-aminoethyl)pent-2-enoate?
The canonical SMILES for methyl 2-(1-aminoethyl)pent-2-enoate is CCC=C(C(=O)OC)C(C)N.
What is the InChIKey of methyl 2-(1-aminoethyl)pent-2-enoate?
The InChIKey is XLNDNAXIGWMQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(6(2)9)8(10)11-3/h5-6H,4,9H2,1-3H3.
What are the key properties of methyl 2-(1-aminoethyl)pent-2-enoate?
methyl 2-(1-aminoethyl)pent-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminoethyl)pent-2-enoate is sourced from PubChem (CID 173355161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).