(ethoxyamino) hexanoate

C8H17NO3 — CID 175072174

IUPAC(ethoxyamino) hexanoate
SMILESCCCCCC(=O)ONOCC
InChIInChI=1S/C8H17NO3/c1-3-5-6-7-8(10)12-9-11-4-2/h9H,3-7H2,1-2H3
InChIKeyHENYIRFMNDDHDW-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.57
Rot. Bonds7

About (ethoxyamino) hexanoate

(ethoxyamino) hexanoate (PubChem CID 175072174) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (ethoxyamino) hexanoate.

Molecular Properties

Compound Name(ethoxyamino) hexanoate
PubChem CID175072174
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(ethoxyamino) hexanoate
SMILESCCCCCC(=O)ONOCC
InChIInChI=1S/C8H17NO3/c1-3-5-6-7-8(10)12-9-11-4-2/h9H,3-7H2,1-2H3
InChIKeyHENYIRFMNDDHDW-UHFFFAOYSA-N
XLogP1.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
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

ethylamino decanoate
CID 151278124
acetamido hexanoate
CID 57050446
(ethoxycarbonylamino) pentadecanoate
CID 175508172
(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
ethane;methyl hexanoate
CID 159004993
methyl heptadecanoate
CID 15609
(methoxycarbonylamino) octanoate
CID 87952242
ethyl tetradecanoate
CID 89052756

Frequently Asked Questions

What is the IUPAC name of (ethoxyamino) hexanoate?
The IUPAC name of (ethoxyamino) hexanoate (CID 175072174) is (ethoxyamino) hexanoate.
What is the SMILES notation for (ethoxyamino) hexanoate?
The canonical SMILES for (ethoxyamino) hexanoate is CCCCCC(=O)ONOCC.
What is the InChIKey of (ethoxyamino) hexanoate?
The InChIKey is HENYIRFMNDDHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-5-6-7-8(10)12-9-11-4-2/h9H,3-7H2,1-2H3.
What are the key properties of (ethoxyamino) hexanoate?
(ethoxyamino) hexanoate has a molecular weight of 175.23 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (ethoxyamino) hexanoate is sourced from PubChem (CID 175072174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).