ethyl 2-(cyclooctylamino)propanoate

C13H25NO2 — CID 61498293

IUPACethyl 2-(cyclooctylamino)propanoate
SMILESCCOC(=O)C(C)NC1CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-3-16-13(15)11(2)14-12-9-7-5-4-6-8-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyIFVHANGDHYGGFO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-(cyclooctylamino)propanoate

ethyl 2-(cyclooctylamino)propanoate (PubChem CID 61498293) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(cyclooctylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclooctylamino)propanoate
PubChem CID61498293
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(cyclooctylamino)propanoate
SMILESCCOC(=O)C(C)NC1CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-3-16-13(15)11(2)14-12-9-7-5-4-6-8-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyIFVHANGDHYGGFO-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
ethyl 3-(cyclohexylamino)-3-fluoro-2-methylpropanoate
CID 174680585
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
CID 63903144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclooctylamino)propanoate?
The IUPAC name of ethyl 2-(cyclooctylamino)propanoate (CID 61498293) is ethyl 2-(cyclooctylamino)propanoate.
What is the SMILES notation for ethyl 2-(cyclooctylamino)propanoate?
The canonical SMILES for ethyl 2-(cyclooctylamino)propanoate is CCOC(=O)C(C)NC1CCCCCCC1.
What is the InChIKey of ethyl 2-(cyclooctylamino)propanoate?
The InChIKey is IFVHANGDHYGGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-16-13(15)11(2)14-12-9-7-5-4-6-8-10-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(cyclooctylamino)propanoate?
ethyl 2-(cyclooctylamino)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclooctylamino)propanoate is sourced from PubChem (CID 61498293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).