ethyl 2-(heptylamino)propanoate

C12H25NO2 — CID 61498650

IUPACethyl 2-(heptylamino)propanoate
SMILESCCCCCCCNC(C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-9-10-13-11(3)12(14)15-5-2/h11,13H,4-10H2,1-3H3
InChIKeyGFZLEMOGNGALHA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds9

About ethyl 2-(heptylamino)propanoate

ethyl 2-(heptylamino)propanoate (PubChem CID 61498650) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-(heptylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(heptylamino)propanoate
PubChem CID61498650
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-(heptylamino)propanoate
SMILESCCCCCCCNC(C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-9-10-13-11(3)12(14)15-5-2/h11,13H,4-10H2,1-3H3
InChIKeyGFZLEMOGNGALHA-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
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-(hexylamino)propanoate
CID 13388952
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-(heptylamino)propanoate?
The IUPAC name of ethyl 2-(heptylamino)propanoate (CID 61498650) is ethyl 2-(heptylamino)propanoate.
What is the SMILES notation for ethyl 2-(heptylamino)propanoate?
The canonical SMILES for ethyl 2-(heptylamino)propanoate is CCCCCCCNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(heptylamino)propanoate?
The InChIKey is GFZLEMOGNGALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-8-9-10-13-11(3)12(14)15-5-2/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(heptylamino)propanoate?
ethyl 2-(heptylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(heptylamino)propanoate is sourced from PubChem (CID 61498650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).