diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate

C18H21NO4 — CID 174970352

IUPACdiphenylmethanone;ethyl 3-amino-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CN.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C5H11NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-9-5(8)4(7)3-6/h1-10H;4,7H,2-3,6H2,1H3
InChIKeyWASZZDNLKGJWSX-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.79
Rot. Bonds5

About diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate

diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate (PubChem CID 174970352) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Namediphenylmethanone;ethyl 3-amino-2-hydroxypropanoate
PubChem CID174970352
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namediphenylmethanone;ethyl 3-amino-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CN.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C5H11NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-9-5(8)4(7)3-6/h1-10H;4,7H,2-3,6H2,1H3
InChIKeyWASZZDNLKGJWSX-UHFFFAOYSA-N
XLogP1.79
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate 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

diphenylmethanone;propan-1-amine
CID 174497329
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
[(E)-(4-ethoxy-3-hydroxy-4-oxo-1-phenylbutylidene)amino]carbamic acid
CID 174204052
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 2-(4-benzoylphenyl)-2-nitroacetate
CID 21282035
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 4-[3-(3-ethoxy-2-hydroxy-3-oxopropyl)benzoyl]benzoate
CID 67780245
ethyl 4-amino-2-hydroxy-4-phenylbutanoate
CID 141301559
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
benzoic acid;ethyl 2-hydroxyhexanoate;formic acid
CID 141252032
butane-2,3-diol;diphenylmethanone
CID 175235923

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate?
The IUPAC name of diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate (CID 174970352) is diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate is CCOC(=O)C(O)CN.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate?
The InChIKey is WASZZDNLKGJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H11NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-9-5(8)4(7)3-6/h1-10H;4,7H,2-3,6H2,1H3.
What are the key properties of diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate?
diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate has a molecular weight of 315.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 174970352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).