ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate

C13H25NO4 — CID 54960187

IUPACethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COC1CCCC1
InChIInChI=1S/C13H25NO4/c1-3-17-13(16)10(2)14-8-11(15)9-18-12-6-4-5-7-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyOECVPHYFPYNISW-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.85
Rot. Bonds8

About ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate

ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate (PubChem CID 54960187) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
PubChem CID54960187
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COC1CCCC1
InChIInChI=1S/C13H25NO4/c1-3-17-13(16)10(2)14-8-11(15)9-18-12-6-4-5-7-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyOECVPHYFPYNISW-UHFFFAOYSA-N
XLogP0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]cyclohexyl]methyl propanoate
CID 140578719
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 63837233
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate (CID 54960187) is ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate is CCOC(=O)C(C)NCC(O)COC1CCCC1.
What is the InChIKey of ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate?
The InChIKey is OECVPHYFPYNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-17-13(16)10(2)14-8-11(15)9-18-12-6-4-5-7-12/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate?
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate is sourced from PubChem (CID 54960187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).