(dibutylamino) propanoate

C11H23NO2 — CID 154448533

IUPAC(dibutylamino) propanoate
SMILESCCCCN(CCCC)OC(=O)CC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)14-11(13)6-3/h4-10H2,1-3H3
InChIKeySNKUONUYFBCNPO-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.76
Rot. Bonds8

About (dibutylamino) propanoate

(dibutylamino) propanoate (PubChem CID 154448533) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (dibutylamino) propanoate.

Molecular Properties

Compound Name(dibutylamino) propanoate
PubChem CID154448533
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(dibutylamino) propanoate
SMILESCCCCN(CCCC)OC(=O)CC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)14-11(13)6-3/h4-10H2,1-3H3
InChIKeySNKUONUYFBCNPO-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[octyl(propanoyloxy)amino] propanoate
CID 87337944
[butanoyl(butyl)amino] propanoate
CID 156703523
8-[heptyl(propanoyloxy)amino]octyl 2-butyloctanoate
CID 166072902
(dibutylamino) 2-(dodecanoylamino)acetate
CID 87640698
(dibutylamino) 2-methylbut-2-enoate
CID 174778974
(dibutylamino) 10-methyldodecanoate
CID 88836236
(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-(dimethylamino)ethyl]amino]decanoate
CID 171586184
CID 101037771
CID 101037771
sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
CID 175434885
2-(didecylamino)oxy-2-oxoacetic acid
CID 175454958
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533

Frequently Asked Questions

What is the IUPAC name of (dibutylamino) propanoate?
The IUPAC name of (dibutylamino) propanoate (CID 154448533) is (dibutylamino) propanoate.
What is the SMILES notation for (dibutylamino) propanoate?
The canonical SMILES for (dibutylamino) propanoate is CCCCN(CCCC)OC(=O)CC.
What is the InChIKey of (dibutylamino) propanoate?
The InChIKey is SNKUONUYFBCNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)14-11(13)6-3/h4-10H2,1-3H3.
What are the key properties of (dibutylamino) propanoate?
(dibutylamino) propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino) propanoate is sourced from PubChem (CID 154448533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).