ethyl 2-(hexylamino)propanoate

C11H23NO2 — CID 13388952

IUPACethyl 2-(hexylamino)propanoate
SMILESCCCCCCNC(C)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-12-10(3)11(13)14-5-2/h10,12H,4-9H2,1-3H3
InChIKeyLCMDFUNTIZKNJK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds8

About ethyl 2-(hexylamino)propanoate

ethyl 2-(hexylamino)propanoate (PubChem CID 13388952) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-(hexylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(hexylamino)propanoate
PubChem CID13388952
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-(hexylamino)propanoate
SMILESCCCCCCNC(C)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-12-10(3)11(13)14-5-2/h10,12H,4-9H2,1-3H3
InChIKeyLCMDFUNTIZKNJK-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(heptylamino)propanoate
CID 61498650
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hexylamino)propanoate?
The IUPAC name of ethyl 2-(hexylamino)propanoate (CID 13388952) is ethyl 2-(hexylamino)propanoate.
What is the SMILES notation for ethyl 2-(hexylamino)propanoate?
The canonical SMILES for ethyl 2-(hexylamino)propanoate is CCCCCCNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(hexylamino)propanoate?
The InChIKey is LCMDFUNTIZKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-7-8-9-12-10(3)11(13)14-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(hexylamino)propanoate?
ethyl 2-(hexylamino)propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hexylamino)propanoate is sourced from PubChem (CID 13388952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).