aminomethyl pent-4-enoate

C6H11NO2 — CID 123806014

IUPACaminomethyl pent-4-enoate
SMILESC=CCCC(=O)OCN
InChIInChI=1S/C6H11NO2/c1-2-3-4-6(8)9-5-7/h2H,1,3-5,7H2
InChIKeyRDXWPQCBMYKTOR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.41
Rot. Bonds4

About aminomethyl pent-4-enoate

aminomethyl pent-4-enoate (PubChem CID 123806014) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is aminomethyl pent-4-enoate.

Molecular Properties

Compound Nameaminomethyl pent-4-enoate
PubChem CID123806014
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameaminomethyl pent-4-enoate
SMILESC=CCCC(=O)OCN
InChIInChI=1S/C6H11NO2/c1-2-3-4-6(8)9-5-7/h2H,1,3-5,7H2
InChIKeyRDXWPQCBMYKTOR-UHFFFAOYSA-N
XLogP0.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

aminomethyl 3-(pent-4-enoylamino)propanoate
CID 163710958
hydroxymethyl pent-4-enoate
CID 175918381
ethyl pent-4-enoate;dihydrochloride
CID 175912482
pent-4-enyl pent-4-enoate
CID 86018729
1,1,2,2,2-pentadeuterioethyl pent-4-enoate
CID 169445408
[2-(methylamino)-2-oxoethyl] pent-4-enoate
CID 163471503
bis(2-methylidenehex-5-enyl) butanedioate
CID 88717652
but-3-enyl hept-6-enoate
CID 86101121
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
bis(pent-4-enyl) decanedioate
CID 91694638
[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
CID 6709762
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601

Frequently Asked Questions

What is the IUPAC name of aminomethyl pent-4-enoate?
The IUPAC name of aminomethyl pent-4-enoate (CID 123806014) is aminomethyl pent-4-enoate.
What is the SMILES notation for aminomethyl pent-4-enoate?
The canonical SMILES for aminomethyl pent-4-enoate is C=CCCC(=O)OCN.
What is the InChIKey of aminomethyl pent-4-enoate?
The InChIKey is RDXWPQCBMYKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-6(8)9-5-7/h2H,1,3-5,7H2.
What are the key properties of aminomethyl pent-4-enoate?
aminomethyl pent-4-enoate has a molecular weight of 129.16 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl pent-4-enoate is sourced from PubChem (CID 123806014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).