ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate

C12H23NO2 — CID 81393902

IUPACethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
SMILESCCOC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-15-12(14)10(3)13-9(2)11-7-5-6-8-11/h9-11,13H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyJMKXYJJNBBCJBN-RGURZIINSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate

ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate (PubChem CID 81393902) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
PubChem CID81393902
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
SMILESCCOC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-15-12(14)10(3)13-9(2)11-7-5-6-8-11/h9-11,13H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyJMKXYJJNBBCJBN-RGURZIINSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
CID 61498192
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803
ethyl 2-cyclopentylpropanoate
CID 10654733
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The IUPAC name of ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate (CID 81393902) is ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate is CCOC(=O)C(C)N[C@@H](C)C1CCCC1.
What is the InChIKey of ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The InChIKey is JMKXYJJNBBCJBN-RGURZIINSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-12(14)10(3)13-9(2)11-7-5-6-8-11/h9-11,13H,4-8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate is sourced from PubChem (CID 81393902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).