[2-(cyclohexylamino)-2-oxoethyl] acetate

C10H17NO3 — CID 717378

IUPAC[2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,13)
InChIKeyBVSBKVLAMWLLNP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds3

About [2-(cyclohexylamino)-2-oxoethyl] acetate

[2-(cyclohexylamino)-2-oxoethyl] acetate (PubChem CID 717378) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] acetate
PubChem CID717378
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,13)
InChIKeyBVSBKVLAMWLLNP-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] acetate (CID 717378) is [2-(cyclohexylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] acetate is CC(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] acetate?
The InChIKey is BVSBKVLAMWLLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,13).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] acetate?
[2-(cyclohexylamino)-2-oxoethyl] acetate has a molecular weight of 199.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 717378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).