benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate

C18H20N2O5 — CID 167980927

IUPACbenzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate
SMILESCc1cccnc1C(O)C(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12-6-5-9-19-15(12)16(22)17(23)20-10-14(21)18(24)25-11-13-7-3-2-4-8-13/h2-9,14,16,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyLVDYAGCXJDILLW-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.64
Rot. Bonds7

About benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate

benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate (PubChem CID 167980927) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate
PubChem CID167980927
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namebenzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate
SMILESCc1cccnc1C(O)C(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12-6-5-9-19-15(12)16(22)17(23)20-10-14(21)18(24)25-11-13-7-3-2-4-8-13/h2-9,14,16,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyLVDYAGCXJDILLW-UHFFFAOYSA-N
XLogP0.64
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-hydroxy-3-(3-methyl-2-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 125456314
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
CID 150423836
benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 126815120
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl 2-amino-2-hydroxyacetate
CID 123342440

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate?
The IUPAC name of benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate (CID 167980927) is benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate.
What is the SMILES notation for benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate?
The canonical SMILES for benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate is Cc1cccnc1C(O)C(=O)NCC(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate?
The InChIKey is LVDYAGCXJDILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-6-5-9-19-15(12)16(22)17(23)20-10-14(21)18(24)25-11-13-7-3-2-4-8-13/h2-9,14,16,21-22H,10-11H2,1H3,(H,20,23).
What are the key properties of benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate?
benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate has a molecular weight of 344.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-3-[[2-hydroxy-2-(3-methyl-2-pyridinyl)acetyl]amino]propanoate is sourced from PubChem (CID 167980927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).