2-aminoacetic acid;butanal;methoxymethylbenzene

C14H23NO4 — CID 155690078

IUPAC2-aminoacetic acid;butanal;methoxymethylbenzene
SMILESCCCC=O.COCc1ccccc1.NCC(=O)O
InChIInChI=1S/C8H10O.C4H8O.C2H5NO2/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5;3-1-2(4)5/h2-6H,7H2,1H3;4H,2-3H2,1H3;1,3H2,(H,4,5)
InChIKeyPLIJNFFAZNCAMH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds5

About 2-aminoacetic acid;butanal;methoxymethylbenzene

2-aminoacetic acid;butanal;methoxymethylbenzene (PubChem CID 155690078) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-aminoacetic acid;butanal;methoxymethylbenzene.

Molecular Properties

Compound Name2-aminoacetic acid;butanal;methoxymethylbenzene
PubChem CID155690078
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-aminoacetic acid;butanal;methoxymethylbenzene
SMILESCCCC=O.COCc1ccccc1.NCC(=O)O
InChIInChI=1S/C8H10O.C4H8O.C2H5NO2/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5;3-1-2(4)5/h2-6H,7H2,1H3;4H,2-3H2,1H3;1,3H2,(H,4,5)
InChIKeyPLIJNFFAZNCAMH-UHFFFAOYSA-N
XLogP1.85
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;butanal;methoxymethylbenzene 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

butanal;1,3-diphenylpropan-2-one
CID 21492177
butanal;2-phenylacetaldehyde
CID 161135702
methoxymethylbenzene;methyl acetate
CID 54330728
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821
ethane;methoxymethylbenzene;propane
CID 144561349
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde
CID 145106893
benzyl hex-2-enoate
CID 3828590
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;butanal;methoxymethylbenzene?
The IUPAC name of 2-aminoacetic acid;butanal;methoxymethylbenzene (CID 155690078) is 2-aminoacetic acid;butanal;methoxymethylbenzene.
What is the SMILES notation for 2-aminoacetic acid;butanal;methoxymethylbenzene?
The canonical SMILES for 2-aminoacetic acid;butanal;methoxymethylbenzene is CCCC=O.COCc1ccccc1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;butanal;methoxymethylbenzene?
The InChIKey is PLIJNFFAZNCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H8O.C2H5NO2/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5;3-1-2(4)5/h2-6H,7H2,1H3;4H,2-3H2,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;butanal;methoxymethylbenzene?
2-aminoacetic acid;butanal;methoxymethylbenzene has a molecular weight of 269.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;butanal;methoxymethylbenzene is sourced from PubChem (CID 155690078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).