[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate

C11H22N2O6 — CID 146230533

IUPAC[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
SMILESCCC(=O)ON(O)CCCCCN(O)OC(=O)CC
InChIInChI=1S/C11H22N2O6/c1-3-10(14)18-12(16)8-6-5-7-9-13(17)19-11(15)4-2/h16-17H,3-9H2,1-2H3
InChIKeyTVWLAOIMNLICHR-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.28
Rot. Bonds10

About [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate

[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate (PubChem CID 146230533) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate.

Molecular Properties

Compound Name[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
PubChem CID146230533
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Name[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
SMILESCCC(=O)ON(O)CCCCCN(O)OC(=O)CC
InChIInChI=1S/C11H22N2O6/c1-3-10(14)18-12(16)8-6-5-7-9-13(17)19-11(15)4-2/h16-17H,3-9H2,1-2H3
InChIKeyTVWLAOIMNLICHR-UHFFFAOYSA-N
XLogP1.28
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
[6-methylheptyl(propanoyloxy)amino] propanoate
CID 169002985
(dibutylamino) propanoate
CID 154448533
[methyl(propanoyloxy)amino] propanoate
CID 90871016
[2-chloroethyl(propanoyloxy)amino] propanoate
CID 135313522
propanoyl (113C)propanoate
CID 91179573
[butanoyl(butyl)amino] propanoate
CID 156703523
14-propanoyloxytetradecyl propanoate
CID 100931915
ethyl 7-(dimethylamino)heptanoate
CID 170069476
8-[heptyl(propanoyloxy)amino]octyl 2-butyloctanoate
CID 166072902
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate?
The IUPAC name of [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate (CID 146230533) is [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate.
What is the SMILES notation for [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate?
The canonical SMILES for [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate is CCC(=O)ON(O)CCCCCN(O)OC(=O)CC.
What is the InChIKey of [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate?
The InChIKey is TVWLAOIMNLICHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6/c1-3-10(14)18-12(16)8-6-5-7-9-13(17)19-11(15)4-2/h16-17H,3-9H2,1-2H3.
What are the key properties of [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate?
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate has a molecular weight of 278.30 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate is sourced from PubChem (CID 146230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).