bis(2-aminoacetic acid);3-phenylbutanoic acid

C14H22N2O6 — CID 19068405

IUPACbis(2-aminoacetic acid);3-phenylbutanoic acid
SMILESCC(CC(=O)O)c1ccccc1.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C10H12O2.2C2H5NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9;2*3-1-2(4)5/h2-6,8H,7H2,1H3,(H,11,12);2*1,3H2,(H,4,5)
InChIKeyPEBAHNKPSPHLJJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.32
Rot. Bonds5

About bis(2-aminoacetic acid);3-phenylbutanoic acid

bis(2-aminoacetic acid);3-phenylbutanoic acid (PubChem CID 19068405) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is bis(2-aminoacetic acid);3-phenylbutanoic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);3-phenylbutanoic acid
PubChem CID19068405
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Namebis(2-aminoacetic acid);3-phenylbutanoic acid
SMILESCC(CC(=O)O)c1ccccc1.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C10H12O2.2C2H5NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9;2*3-1-2(4)5/h2-6,8H,7H2,1H3,(H,11,12);2*1,3H2,(H,4,5)
InChIKeyPEBAHNKPSPHLJJ-UHFFFAOYSA-N
XLogP0.32
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze bis(2-aminoacetic acid);3-phenylbutanoic acid 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

2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
CID 67823371
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
(3S)-3-phenylbutanoate
CID 6950118
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
4-methyl-3-phenylpentanoic acid
CID 3249521
3-(3-chlorophenyl)butanoic acid
CID 71683749
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
CID 153367732
CID 153367732
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2,3-dimethyl-4-oxo-6-phenylheptanoic acid
CID 79414107

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);3-phenylbutanoic acid?
The IUPAC name of bis(2-aminoacetic acid);3-phenylbutanoic acid (CID 19068405) is bis(2-aminoacetic acid);3-phenylbutanoic acid.
What is the SMILES notation for bis(2-aminoacetic acid);3-phenylbutanoic acid?
The canonical SMILES for bis(2-aminoacetic acid);3-phenylbutanoic acid is CC(CC(=O)O)c1ccccc1.NCC(=O)O.NCC(=O)O.
What is the InChIKey of bis(2-aminoacetic acid);3-phenylbutanoic acid?
The InChIKey is PEBAHNKPSPHLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.2C2H5NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9;2*3-1-2(4)5/h2-6,8H,7H2,1H3,(H,11,12);2*1,3H2,(H,4,5).
What are the key properties of bis(2-aminoacetic acid);3-phenylbutanoic acid?
bis(2-aminoacetic acid);3-phenylbutanoic acid has a molecular weight of 314.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);3-phenylbutanoic acid is sourced from PubChem (CID 19068405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).