propyl 2-(butylamino)acetate

C9H19NO2 — CID 118604269

IUPACpropyl 2-(butylamino)acetate
SMILESCCCCNCC(=O)OCCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-10-8-9(11)12-7-4-2/h10H,3-8H2,1-2H3
InChIKeyWQZXUZAMISRYFH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds7

About propyl 2-(butylamino)acetate

propyl 2-(butylamino)acetate (PubChem CID 118604269) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propyl 2-(butylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(butylamino)acetate
PubChem CID118604269
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropyl 2-(butylamino)acetate
SMILESCCCCNCC(=O)OCCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-10-8-9(11)12-7-4-2/h10H,3-8H2,1-2H3
InChIKeyWQZXUZAMISRYFH-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(octylamino)acetate
CID 115567498
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
butyl 2-(pent-4-ynylamino)acetate
CID 106221090
octyl 2-[3-(dimethylamino)propylamino]acetate
CID 176847231
butyl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336288
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
3-(butylamino)propyl propanoate
CID 82532356
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
CID 58040601
pentan-3-yl 2-(butylamino)acetate
CID 20703149
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
butyl 2-(2-phenylethylamino)acetate
CID 60679601

Frequently Asked Questions

What is the IUPAC name of propyl 2-(butylamino)acetate?
The IUPAC name of propyl 2-(butylamino)acetate (CID 118604269) is propyl 2-(butylamino)acetate.
What is the SMILES notation for propyl 2-(butylamino)acetate?
The canonical SMILES for propyl 2-(butylamino)acetate is CCCCNCC(=O)OCCC.
What is the InChIKey of propyl 2-(butylamino)acetate?
The InChIKey is WQZXUZAMISRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-6-10-8-9(11)12-7-4-2/h10H,3-8H2,1-2H3.
What are the key properties of propyl 2-(butylamino)acetate?
propyl 2-(butylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(butylamino)acetate is sourced from PubChem (CID 118604269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).