ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate

C14H21NO3 — CID 62116345

IUPACethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
SMILESCCOC(=O)C(C)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)12(2)15(9-10-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyMEGBTWLPWUKZGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds7

About ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate

ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate (PubChem CID 62116345) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
PubChem CID62116345
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
SMILESCCOC(=O)C(C)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)12(2)15(9-10-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyMEGBTWLPWUKZGA-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
ethyl 2-(dibenzylamino)-4,4-difluoro-3-hydroxybutanoate
CID 15673911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate?
The IUPAC name of ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate (CID 62116345) is ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate is CCOC(=O)C(C)N(CCO)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate?
The InChIKey is MEGBTWLPWUKZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-14(17)12(2)15(9-10-16)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate?
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 62116345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).