benzyl 2-amino-2-hydroxyacetate

C9H11NO3 — CID 123342440

IUPACbenzyl 2-amino-2-hydroxyacetate
SMILESNC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO3/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2
InChIKeyWIZKFPYFSOQHQC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.01
Rot. Bonds3

About benzyl 2-amino-2-hydroxyacetate

benzyl 2-amino-2-hydroxyacetate (PubChem CID 123342440) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is benzyl 2-amino-2-hydroxyacetate.

Molecular Properties

Compound Namebenzyl 2-amino-2-hydroxyacetate
PubChem CID123342440
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namebenzyl 2-amino-2-hydroxyacetate
SMILESNC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO3/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2
InChIKeyWIZKFPYFSOQHQC-UHFFFAOYSA-N
XLogP0.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-2-aminopropanoate
CID 726858
2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl 2,3-diaminopropanoate
CID 19891176
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl 3-amino-2-iodopropanoate
CID 57172604
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-hydroxyacetate?
The IUPAC name of benzyl 2-amino-2-hydroxyacetate (CID 123342440) is benzyl 2-amino-2-hydroxyacetate.
What is the SMILES notation for benzyl 2-amino-2-hydroxyacetate?
The canonical SMILES for benzyl 2-amino-2-hydroxyacetate is NC(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-2-hydroxyacetate?
The InChIKey is WIZKFPYFSOQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2.
What are the key properties of benzyl 2-amino-2-hydroxyacetate?
benzyl 2-amino-2-hydroxyacetate has a molecular weight of 181.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-hydroxyacetate is sourced from PubChem (CID 123342440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).