tert-butyl (Z)-2-aminopent-2-enoate

C9H17NO2 — CID 88694460

IUPACtert-butyl (Z)-2-aminopent-2-enoate
SMILESCC/C=C(\N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h6H,5,10H2,1-4H3/b7-6-
InChIKeySZQKAFVRZPOKRJ-SREVYHEPSA-N
MW171.24 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl (Z)-2-aminopent-2-enoate

tert-butyl (Z)-2-aminopent-2-enoate (PubChem CID 88694460) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl (Z)-2-aminopent-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-2-aminopent-2-enoate
PubChem CID88694460
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl (Z)-2-aminopent-2-enoate
SMILESCC/C=C(\N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h6H,5,10H2,1-4H3/b7-6-
InChIKeySZQKAFVRZPOKRJ-SREVYHEPSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-2-aminopent-2-enoate?
The IUPAC name of tert-butyl (Z)-2-aminopent-2-enoate (CID 88694460) is tert-butyl (Z)-2-aminopent-2-enoate.
What is the SMILES notation for tert-butyl (Z)-2-aminopent-2-enoate?
The canonical SMILES for tert-butyl (Z)-2-aminopent-2-enoate is CC/C=C(\N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-2-aminopent-2-enoate?
The InChIKey is SZQKAFVRZPOKRJ-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h6H,5,10H2,1-4H3/b7-6-.
What are the key properties of tert-butyl (Z)-2-aminopent-2-enoate?
tert-butyl (Z)-2-aminopent-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-2-aminopent-2-enoate is sourced from PubChem (CID 88694460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).