ethyl 3-amino-2,4-dimethylpent-2-enoate

C9H17NO2 — CID 175523894

IUPACethyl 3-amino-2,4-dimethylpent-2-enoate
SMILESCCOC(=O)C(C)=C(N)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-12-9(11)7(4)8(10)6(2)3/h6H,5,10H2,1-4H3
InChIKeySYURYXUNVKSVDX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.44
Rot. Bonds3

About ethyl 3-amino-2,4-dimethylpent-2-enoate

ethyl 3-amino-2,4-dimethylpent-2-enoate (PubChem CID 175523894) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 3-amino-2,4-dimethylpent-2-enoate.

Molecular Properties

Compound Nameethyl 3-amino-2,4-dimethylpent-2-enoate
PubChem CID175523894
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 3-amino-2,4-dimethylpent-2-enoate
SMILESCCOC(=O)C(C)=C(N)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-12-9(11)7(4)8(10)6(2)3/h6H,5,10H2,1-4H3
InChIKeySYURYXUNVKSVDX-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.44
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-amino-2-chloro-4-methylpent-2-enoate
CID 86749531
ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate
CID 174274435
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
ethyl acetate;2-methylpropanamide
CID 174848751
ethyl 4-methyl-3-oxo-2-propan-2-ylidenepentanoate
CID 177307724
diethyl (E)-2-fluoro-3-propan-2-ylbut-2-enedioate
CID 11096459
ethyl 3-amino-2-methylhex-2-enoate
CID 173097015
ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate
CID 176571916
ethyl 2,3,6-trimethylhept-2-enoate
CID 104503390
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
CID 131855889
ethyl 2-oxo(213C)propanoate
CID 71309469

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2,4-dimethylpent-2-enoate?
The IUPAC name of ethyl 3-amino-2,4-dimethylpent-2-enoate (CID 175523894) is ethyl 3-amino-2,4-dimethylpent-2-enoate.
What is the SMILES notation for ethyl 3-amino-2,4-dimethylpent-2-enoate?
The canonical SMILES for ethyl 3-amino-2,4-dimethylpent-2-enoate is CCOC(=O)C(C)=C(N)C(C)C.
What is the InChIKey of ethyl 3-amino-2,4-dimethylpent-2-enoate?
The InChIKey is SYURYXUNVKSVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-12-9(11)7(4)8(10)6(2)3/h6H,5,10H2,1-4H3.
What are the key properties of ethyl 3-amino-2,4-dimethylpent-2-enoate?
ethyl 3-amino-2,4-dimethylpent-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2,4-dimethylpent-2-enoate is sourced from PubChem (CID 175523894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).