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

C13H25NO3 — CID 103157624

IUPACethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(16)7-8-14-10-12(15)9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCVGIRMBYCTYXPE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds8

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

ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate (PubChem CID 103157624) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
PubChem CID103157624
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
SMILESCCOC(=O)CCNCC(O)CC1CCCC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(16)7-8-14-10-12(15)9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyCVGIRMBYCTYXPE-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate (CID 103157624) is ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate is CCOC(=O)CCNCC(O)CC1CCCC1.
What is the InChIKey of ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate?
The InChIKey is CVGIRMBYCTYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-17-13(16)7-8-14-10-12(15)9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate?
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate is sourced from PubChem (CID 103157624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).