ethyl 3-[butyl(hydroxy)amino]propanoate

C9H19NO3 — CID 89001545

IUPACethyl 3-[butyl(hydroxy)amino]propanoate
SMILESCCCCN(O)CCC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-3-5-7-10(12)8-6-9(11)13-4-2/h12H,3-8H2,1-2H3
InChIKeyNMCSLCDGRRVDDK-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.43
Rot. Bonds7

About ethyl 3-[butyl(hydroxy)amino]propanoate

ethyl 3-[butyl(hydroxy)amino]propanoate (PubChem CID 89001545) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-[butyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[butyl(hydroxy)amino]propanoate
PubChem CID89001545
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-[butyl(hydroxy)amino]propanoate
SMILESCCCCN(O)CCC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-3-5-7-10(12)8-6-9(11)13-4-2/h12H,3-8H2,1-2H3
InChIKeyNMCSLCDGRRVDDK-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[hydroxy(oxido)amino]propanoate
CID 163126069
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl hexanoate;nickel(2+)
CID 162067155
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl(hydroxy)amino]propanoate?
The IUPAC name of ethyl 3-[butyl(hydroxy)amino]propanoate (CID 89001545) is ethyl 3-[butyl(hydroxy)amino]propanoate.
What is the SMILES notation for ethyl 3-[butyl(hydroxy)amino]propanoate?
The canonical SMILES for ethyl 3-[butyl(hydroxy)amino]propanoate is CCCCN(O)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[butyl(hydroxy)amino]propanoate?
The InChIKey is NMCSLCDGRRVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-5-7-10(12)8-6-9(11)13-4-2/h12H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[butyl(hydroxy)amino]propanoate?
ethyl 3-[butyl(hydroxy)amino]propanoate has a molecular weight of 189.25 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl(hydroxy)amino]propanoate is sourced from PubChem (CID 89001545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).