methyl 2-(pent-4-enoylamino)acetate

C8H13NO3 — CID 59153848

IUPACmethyl 2-(pent-4-enoylamino)acetate
SMILESC=CCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyJLXCJNZHDJWTNU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds5

About methyl 2-(pent-4-enoylamino)acetate

methyl 2-(pent-4-enoylamino)acetate (PubChem CID 59153848) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-(pent-4-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(pent-4-enoylamino)acetate
PubChem CID59153848
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-(pent-4-enoylamino)acetate
SMILESC=CCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyJLXCJNZHDJWTNU-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
N-(trimethoxysilylmethyl)pent-4-enamide
CID 91315937
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
methyl 2-(3-methylsulfonylpropanoylamino)acetate
CID 43623270
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
methyl 3-[3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanylpropanoate
CID 130272723
aminomethyl 3-(pent-4-enoylamino)propanoate
CID 163710958
N-(2-aminoethyl)pent-4-enamide
CID 62679699
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pent-4-enoylamino)acetate?
The IUPAC name of methyl 2-(pent-4-enoylamino)acetate (CID 59153848) is methyl 2-(pent-4-enoylamino)acetate.
What is the SMILES notation for methyl 2-(pent-4-enoylamino)acetate?
The canonical SMILES for methyl 2-(pent-4-enoylamino)acetate is C=CCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(pent-4-enoylamino)acetate?
The InChIKey is JLXCJNZHDJWTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of methyl 2-(pent-4-enoylamino)acetate?
methyl 2-(pent-4-enoylamino)acetate has a molecular weight of 171.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pent-4-enoylamino)acetate is sourced from PubChem (CID 59153848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).