ethyl 2-(dibenzylamino)-3-hydroxybutanoate

C20H25NO3 — CID 14824485

IUPACethyl 2-(dibenzylamino)-3-hydroxybutanoate
SMILESCCOC(=O)C(C(C)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-24-20(23)19(16(2)22)21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19,22H,3,14-15H2,1-2H3
InChIKeyASCHRSHULQPKJL-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.00
Rot. Bonds8

About ethyl 2-(dibenzylamino)-3-hydroxybutanoate

ethyl 2-(dibenzylamino)-3-hydroxybutanoate (PubChem CID 14824485) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 2-(dibenzylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-(dibenzylamino)-3-hydroxybutanoate
PubChem CID14824485
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 2-(dibenzylamino)-3-hydroxybutanoate
SMILESCCOC(=O)C(C(C)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-24-20(23)19(16(2)22)21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19,22H,3,14-15H2,1-2H3
InChIKeyASCHRSHULQPKJL-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-L-serine, methyl ester
CID 11790456
N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
2-(Benzylmethylamino)ethyl acetoacetate
CID 11776829
N,N-Dibenzyl-L-serine methyl ester
CID 16217031
methyl (2S,3R)-2-(benzylamino)-3-hydroxybutanoate
CID 13483447
N,N-dibenzylleucine
CID 3471489
(4-Benzylmorpholin-2-yl)acetic acid
CID 4163696
Ethyl 2-(dibenzylamino)acetate
CID 3553452
2-(4-Benzylmorpholin-2-yl)acetic acid hydrochloride
CID 53534937
3-(Dibenzylamino)oxetane-3-carboxylic acid
CID 66616918
(2R,3S)-4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid
CID 77230305
Ethyl 1,6-dimethyl-3-oxo-5-phenyl-2,6-dihydropyridine-2-carboxylate
CID 10016122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibenzylamino)-3-hydroxybutanoate?
The IUPAC name of ethyl 2-(dibenzylamino)-3-hydroxybutanoate (CID 14824485) is ethyl 2-(dibenzylamino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-(dibenzylamino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-(dibenzylamino)-3-hydroxybutanoate is CCOC(=O)C(C(C)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 2-(dibenzylamino)-3-hydroxybutanoate?
The InChIKey is ASCHRSHULQPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-24-20(23)19(16(2)22)21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16,19,22H,3,14-15H2,1-2H3.
What are the key properties of ethyl 2-(dibenzylamino)-3-hydroxybutanoate?
ethyl 2-(dibenzylamino)-3-hydroxybutanoate has a molecular weight of 327.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibenzylamino)-3-hydroxybutanoate is sourced from PubChem (CID 14824485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).