dibenzyl 2-amino-3-hydroxypentanedioate

C19H21NO5 — CID 150974929

IUPACdibenzyl 2-amino-3-hydroxypentanedioate
SMILESNC(C(=O)OCc1ccccc1)C(O)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO5/c20-18(19(23)25-13-15-9-5-2-6-10-15)16(21)11-17(22)24-12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13,20H2
InChIKeyLOWWXUHAWNKHBA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.55
Rot. Bonds8

About dibenzyl 2-amino-3-hydroxypentanedioate

dibenzyl 2-amino-3-hydroxypentanedioate (PubChem CID 150974929) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is dibenzyl 2-amino-3-hydroxypentanedioate.

Molecular Properties

Compound Namedibenzyl 2-amino-3-hydroxypentanedioate
PubChem CID150974929
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namedibenzyl 2-amino-3-hydroxypentanedioate
SMILESNC(C(=O)OCc1ccccc1)C(O)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO5/c20-18(19(23)25-13-15-9-5-2-6-10-15)16(21)11-17(22)24-12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13,20H2
InChIKeyLOWWXUHAWNKHBA-UHFFFAOYSA-N
XLogP1.55
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-amino-3-hydroxypentanoate
CID 68991672
dibenzyl 3-hydroxypentanedioate
CID 23067924
1-amino-2-hydroxy-4-oxo-4-phenylmethoxybutane-1-sulfonic acid
CID 150331821
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl 3-hydroxybutanoate
CID 562226
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134

Frequently Asked Questions

What is the IUPAC name of dibenzyl 2-amino-3-hydroxypentanedioate?
The IUPAC name of dibenzyl 2-amino-3-hydroxypentanedioate (CID 150974929) is dibenzyl 2-amino-3-hydroxypentanedioate.
What is the SMILES notation for dibenzyl 2-amino-3-hydroxypentanedioate?
The canonical SMILES for dibenzyl 2-amino-3-hydroxypentanedioate is NC(C(=O)OCc1ccccc1)C(O)CC(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl 2-amino-3-hydroxypentanedioate?
The InChIKey is LOWWXUHAWNKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c20-18(19(23)25-13-15-9-5-2-6-10-15)16(21)11-17(22)24-12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13,20H2.
What are the key properties of dibenzyl 2-amino-3-hydroxypentanedioate?
dibenzyl 2-amino-3-hydroxypentanedioate has a molecular weight of 343.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 2-amino-3-hydroxypentanedioate is sourced from PubChem (CID 150974929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).