ethyl 2-(benzylamino)acetate;oxalic acid

C13H17NO6 — CID 17052843

IUPACethyl 2-(benzylamino)acetate;oxalic acid
SMILESCCOC(=O)CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C11H15NO2.C2H2O4/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10;3-1(4)2(5)6/h3-7,12H,2,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyMKGODFLMONSPKN-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.49
Rot. Bonds5

About ethyl 2-(benzylamino)acetate;oxalic acid

ethyl 2-(benzylamino)acetate;oxalic acid (PubChem CID 17052843) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 2-(benzylamino)acetate;oxalic acid.

Molecular Properties

Compound Nameethyl 2-(benzylamino)acetate;oxalic acid
PubChem CID17052843
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Nameethyl 2-(benzylamino)acetate;oxalic acid
SMILESCCOC(=O)CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C11H15NO2.C2H2O4/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10;3-1(4)2(5)6/h3-7,12H,2,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyMKGODFLMONSPKN-UHFFFAOYSA-N
XLogP0.49
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(benzylamino)acetate;oxalic 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

ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
N-benzylethanamine;diethyl 2-methylpropanedioate
CID 142885461
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)acetate;oxalic acid?
The IUPAC name of ethyl 2-(benzylamino)acetate;oxalic acid (CID 17052843) is ethyl 2-(benzylamino)acetate;oxalic acid.
What is the SMILES notation for ethyl 2-(benzylamino)acetate;oxalic acid?
The canonical SMILES for ethyl 2-(benzylamino)acetate;oxalic acid is CCOC(=O)CNCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 2-(benzylamino)acetate;oxalic acid?
The InChIKey is MKGODFLMONSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H2O4/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10;3-1(4)2(5)6/h3-7,12H,2,8-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 2-(benzylamino)acetate;oxalic acid?
ethyl 2-(benzylamino)acetate;oxalic acid has a molecular weight of 283.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)acetate;oxalic acid is sourced from PubChem (CID 17052843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).