2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate

C17H20N2O3 — CID 142147252

IUPAC2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
SMILESCOC(=O)C(N)(c1ccccc1)c1ccccc1.NCC=O
InChIInChI=1S/C15H15NO2.C2H5NO/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13;3-1-2-4/h2-11H,16H2,1H3;2H,1,3H2
InChIKeyWITCCDRYEIVUNV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.21
Rot. Bonds4

About 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate

2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate (PubChem CID 142147252) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate.

Molecular Properties

Compound Name2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
PubChem CID142147252
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
SMILESCOC(=O)C(N)(c1ccccc1)c1ccccc1.NCC=O
InChIInChI=1S/C15H15NO2.C2H5NO/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13;3-1-2-4/h2-11H,16H2,1H3;2H,1,3H2
InChIKeyWITCCDRYEIVUNV-UHFFFAOYSA-N
XLogP1.21
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
phenyl 2-amino-2,2-diphenylacetate
CID 142678162
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl 2-methyl-2-phenylbutanoate
CID 562613

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate?
The IUPAC name of 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate (CID 142147252) is 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate.
What is the SMILES notation for 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate?
The canonical SMILES for 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate is COC(=O)C(N)(c1ccccc1)c1ccccc1.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate?
The InChIKey is WITCCDRYEIVUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.C2H5NO/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13;3-1-2-4/h2-11H,16H2,1H3;2H,1,3H2.
What are the key properties of 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate?
2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate has a molecular weight of 300.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate is sourced from PubChem (CID 142147252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).