pentyl 2-(prop-2-enylamino)acetate

C10H19NO2 — CID 79277260

IUPACpentyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-8-13-10(12)9-11-7-4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyNONSDOWSBBIOTH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds8

About pentyl 2-(prop-2-enylamino)acetate

pentyl 2-(prop-2-enylamino)acetate (PubChem CID 79277260) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is pentyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namepentyl 2-(prop-2-enylamino)acetate
PubChem CID79277260
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepentyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-8-13-10(12)9-11-7-4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyNONSDOWSBBIOTH-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-2-Propen-1-ylglycine ethyl ester
CID 10975597
Tert-butyl 2-[(prop-2-en-1-yl)amino]acetate
CID 19959470
Methyl 2-[(prop-2-en-1-yl)amino]acetate
CID 13454969
Oxalic acid, monoamide, N-allyl-, pentyl ester
CID 6420267
ethyl N-(2,7-octadienyl)glycinate
CID 85906188
Oxalic acid, monoamide, N-allyl-, hexyl ester
CID 6420268
Ethyl 2-(prop-2-enylamino)propanoate
CID 13326681
ethyl 2-[[(E)-but-2-enyl]amino]acetate
CID 13326685
Ethyl 2-(prop-2-enylamino)butanoate
CID 16723930
Butyl 2-(prop-2-enylamino)acetate
CID 19076148
Butyl 2-(prop-2-enylamino)propanoate
CID 19076154
[2-(Prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate
CID 22377220

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(prop-2-enylamino)acetate?
The IUPAC name of pentyl 2-(prop-2-enylamino)acetate (CID 79277260) is pentyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for pentyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for pentyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCCCCC.
What is the InChIKey of pentyl 2-(prop-2-enylamino)acetate?
The InChIKey is NONSDOWSBBIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-6-8-13-10(12)9-11-7-4-2/h4,11H,2-3,5-9H2,1H3.
What are the key properties of pentyl 2-(prop-2-enylamino)acetate?
pentyl 2-(prop-2-enylamino)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 79277260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).