[butanoyl(butyl)amino] propanoate

C11H21NO3 — CID 156703523

IUPAC[butanoyl(butyl)amino] propanoate
SMILESCCCCN(OC(=O)CC)C(=O)CCC
InChIInChI=1S/C11H21NO3/c1-4-7-9-12(10(13)8-5-2)15-11(14)6-3/h4-9H2,1-3H3
InChIKeyWJEHHKUXDOSNHW-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.28
Rot. Bonds6

About [butanoyl(butyl)amino] propanoate

[butanoyl(butyl)amino] propanoate (PubChem CID 156703523) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [butanoyl(butyl)amino] propanoate.

Molecular Properties

Compound Name[butanoyl(butyl)amino] propanoate
PubChem CID156703523
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[butanoyl(butyl)amino] propanoate
SMILESCCCCN(OC(=O)CC)C(=O)CCC
InChIInChI=1S/C11H21NO3/c1-4-7-9-12(10(13)8-5-2)15-11(14)6-3/h4-9H2,1-3H3
InChIKeyWJEHHKUXDOSNHW-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.28
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

(dibutylamino) propanoate
CID 154448533
butyl(dodecanoyloxy)carbamic acid
CID 54414484
[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[octyl(propanoyloxy)amino] propanoate
CID 87337944
bis[butyl(butylsulfanylcarbothioyl)amino] butanedioate
CID 174885244
europium(3+);hexanoyl hexanoate;trichloride
CID 174528713
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533
[(6-oxo-6-undecoxyhexyl)-(3-pyrrolidin-1-ylpropanoyl)amino] octanoate
CID 176630173
N-(1-hydroxyethoxy)-N-[6-[1-hydroxyethoxy(pentanoyl)amino]hexyl]pentanamide
CID 22621452
[methyl(propanoyloxy)amino] propanoate
CID 90871016

Frequently Asked Questions

What is the IUPAC name of [butanoyl(butyl)amino] propanoate?
The IUPAC name of [butanoyl(butyl)amino] propanoate (CID 156703523) is [butanoyl(butyl)amino] propanoate.
What is the SMILES notation for [butanoyl(butyl)amino] propanoate?
The canonical SMILES for [butanoyl(butyl)amino] propanoate is CCCCN(OC(=O)CC)C(=O)CCC.
What is the InChIKey of [butanoyl(butyl)amino] propanoate?
The InChIKey is WJEHHKUXDOSNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-7-9-12(10(13)8-5-2)15-11(14)6-3/h4-9H2,1-3H3.
What are the key properties of [butanoyl(butyl)amino] propanoate?
[butanoyl(butyl)amino] propanoate has a molecular weight of 215.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(butyl)amino] propanoate is sourced from PubChem (CID 156703523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).