2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid

C12H24N2O4 — CID 103802618

IUPAC2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
SMILESCOCC(C)CC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-10(9-18-4)7-11(15)14(8-12(16)17)6-5-13(2)3/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyMOWKZFLFJRTURD-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.13
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid (PubChem CID 103802618) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
PubChem CID103802618
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
SMILESCOCC(C)CC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-10(9-18-4)7-11(15)14(8-12(16)17)6-5-13(2)3/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyMOWKZFLFJRTURD-UHFFFAOYSA-N
XLogP0.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)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-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
CID 115772100
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325696

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid (CID 103802618) is 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid is COCC(C)CC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid?
The InChIKey is MOWKZFLFJRTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-10(9-18-4)7-11(15)14(8-12(16)17)6-5-13(2)3/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid has a molecular weight of 260.33 g/mol, XLogP of 0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid is sourced from PubChem (CID 103802618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).