(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid

C18H21NO3 — CID 118253863

IUPAC(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
SMILESCC([C@H](O)C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(17(20)18(21)22)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)/t14?,17-/m0/s1
InChIKeyFCHOASRYCHQKNI-JRZJBTRGSA-N
MW299.37 g/mol
LogP2.52
Rot. Bonds7

About (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid

(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid (PubChem CID 118253863) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
PubChem CID118253863
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
SMILESCC([C@H](O)C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(17(20)18(21)22)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)/t14?,17-/m0/s1
InChIKeyFCHOASRYCHQKNI-JRZJBTRGSA-N
XLogP2.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
(3S)-3-(dibenzylamino)-2-phenylmethoxybutanoic acid
CID 118525691
(3R,4S)-1-amino-4-(dibenzylamino)-2,2-dimethylpentan-3-ol
CID 10687602
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
tert-butyl (4S,5S)-5-(dibenzylamino)-4-hydroxyhexanoate
CID 10959952
tert-butyl (4S)-5-(dibenzylamino)-4-hydroxyhexanoate
CID 22868419
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
(2R,3S)-3-(dibenzylamino)-1-nitrobutan-2-ol
CID 11964376

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid?
The IUPAC name of (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid (CID 118253863) is (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid is CC([C@H](O)C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid?
The InChIKey is FCHOASRYCHQKNI-JRZJBTRGSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(17(20)18(21)22)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)/t14?,17-/m0/s1.
What are the key properties of (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid?
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dibenzylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 118253863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).