benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate

C24H25NO3 — CID 12835763

IUPACbenzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate
SMILESO=C(OCc1ccccc1)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c26-18-23(24(27)28-19-22-14-8-3-9-15-22)25(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23,26H,16-19H2/t23-/m0/s1
InChIKeyIZGCKWHDNJEEAX-QHCPKHFHSA-N
MW375.47 g/mol
LogP3.79
Rot. Bonds9

About benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate

benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate (PubChem CID 12835763) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate
PubChem CID12835763
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namebenzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate
SMILESO=C(OCc1ccccc1)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c26-18-23(24(27)28-19-22-14-8-3-9-15-22)25(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23,26H,16-19H2/t23-/m0/s1
InChIKeyIZGCKWHDNJEEAX-QHCPKHFHSA-N
XLogP3.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
CID 375616
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
Benzyl (2S)-2-(dibenzylamino)propanoate
CID 10904467
Benzyl N,N-dibenzyl-L-phenylalaninate
CID 10928230
Dibenzylamino-acetic acid benzyl ester
CID 4683020
Benzyl N-Diphenylmethyl-2-azetidinecarboxylate
CID 323845
2-[[3-[(3,5-Dimethylphenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid
CID 19046436
(5S)-3,4,5,6-Tetrahydro-5-phenyl-N-(benzyloxycarbonyl)-4(H)-1,4-oxazin-2-one
CID 10064027
4-[(Benzyloxy)carbonyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 132327997
(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
CID 135030058
(5S,6R)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
CID 135030172
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 10638764

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate?
The IUPAC name of benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate (CID 12835763) is benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate.
What is the SMILES notation for benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate?
The canonical SMILES for benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate is O=C(OCc1ccccc1)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate?
The InChIKey is IZGCKWHDNJEEAX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3/c26-18-23(24(27)28-19-22-14-8-3-9-15-22)25(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23,26H,16-19H2/t23-/m0/s1.
What are the key properties of benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate?
benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate has a molecular weight of 375.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate is sourced from PubChem (CID 12835763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).