2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid

C10H18N2O6 — CID 114227443

IUPAC2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
SMILESCCOC(CN)CC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-2-18-7(4-11)3-8(13)12(5-9(14)15)6-10(16)17/h7H,2-6,11H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJBWASAWJPCTJU-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.26
Rot. Bonds9

About 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid

2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid (PubChem CID 114227443) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
PubChem CID114227443
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
SMILESCCOC(CN)CC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-2-18-7(4-11)3-8(13)12(5-9(14)15)6-10(16)17/h7H,2-6,11H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJBWASAWJPCTJU-UHFFFAOYSA-N
XLogP-1.26
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)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-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
CID 103156185
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
CID 63070450
2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
CID 114227516
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
4-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-N-methylbutanamide
CID 114227354
methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate
CID 114227387

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid (CID 114227443) is 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid is CCOC(CN)CC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is CJBWASAWJPCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-2-18-7(4-11)3-8(13)12(5-9(14)15)6-10(16)17/h7H,2-6,11H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid?
2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of -1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 114227443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).