2-[benzyl(ethyl)amino]acetic acid

C11H15NO2 — CID 19755290

IUPAC2-[benzyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-12(9-11(13)14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyPRRQEIBXODSBPQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds5

About 2-[benzyl(ethyl)amino]acetic acid

2-[benzyl(ethyl)amino]acetic acid (PubChem CID 19755290) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]acetic acid
PubChem CID19755290
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[benzyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-12(9-11(13)14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyPRRQEIBXODSBPQ-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(ethyl)amino]acetic 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

2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-(Benzylamino)acetic acid
CID 86965
N-benzoyl-N-methylglycine
CID 75728
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
N-Benzylaminodiacetic acid
CID 77606
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
2-(Dibenzylamino)acetic acid
CID 174082
2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid
CID 954465
N-Benzylglycine Hydrochloride
CID 2756624

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[benzyl(ethyl)amino]acetic acid (CID 19755290) is 2-[benzyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl(ethyl)amino]acetic acid is CCN(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]acetic acid?
The InChIKey is PRRQEIBXODSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12(9-11(13)14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of 2-[benzyl(ethyl)amino]acetic acid?
2-[benzyl(ethyl)amino]acetic acid has a molecular weight of 193.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]acetic acid is sourced from PubChem (CID 19755290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).