ethyl 5-[methyl(oxido)amino]pentanoate

C8H16NO3- — CID 163754429

IUPACethyl 5-[methyl(oxido)amino]pentanoate
SMILESCCOC(=O)CCCCN(C)[O-]
InChIInChI=1S/C8H16NO3/c1-3-12-8(10)6-4-5-7-9(2)11/h3-7H2,1-2H3/q-1
InChIKeyLXLFULTXDRKPGO-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.15
Rot. Bonds6

About ethyl 5-[methyl(oxido)amino]pentanoate

ethyl 5-[methyl(oxido)amino]pentanoate (PubChem CID 163754429) has the molecular formula C8H16NO3- and a molecular weight of 174.22 g/mol. Its IUPAC name is ethyl 5-[methyl(oxido)amino]pentanoate.

Molecular Properties

Compound Nameethyl 5-[methyl(oxido)amino]pentanoate
PubChem CID163754429
Molecular FormulaC8H16NO3-
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Nameethyl 5-[methyl(oxido)amino]pentanoate
SMILESCCOC(=O)CCCCN(C)[O-]
InChIInChI=1S/C8H16NO3/c1-3-12-8(10)6-4-5-7-9(2)11/h3-7H2,1-2H3/q-1
InChIKeyLXLFULTXDRKPGO-UHFFFAOYSA-N
XLogP1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 7-(dimethylamino)heptanoate
CID 170069476
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CID 160747628
diethyl icosanedioate
CID 5058538
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ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-[hydroxy(oxido)amino]propanoate
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ethyl hexanoate;zirconium(2+)
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ethyl hexanoate;tungsten
CID 175314088
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CID 15430781
ethyl hexanoate;mercury
CID 174624991
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl(oxido)amino]pentanoate?
The IUPAC name of ethyl 5-[methyl(oxido)amino]pentanoate (CID 163754429) is ethyl 5-[methyl(oxido)amino]pentanoate.
What is the SMILES notation for ethyl 5-[methyl(oxido)amino]pentanoate?
The canonical SMILES for ethyl 5-[methyl(oxido)amino]pentanoate is CCOC(=O)CCCCN(C)[O-].
What is the InChIKey of ethyl 5-[methyl(oxido)amino]pentanoate?
The InChIKey is LXLFULTXDRKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3/c1-3-12-8(10)6-4-5-7-9(2)11/h3-7H2,1-2H3/q-1.
What are the key properties of ethyl 5-[methyl(oxido)amino]pentanoate?
ethyl 5-[methyl(oxido)amino]pentanoate has a molecular weight of 174.22 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl(oxido)amino]pentanoate is sourced from PubChem (CID 163754429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).