2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid

C10H20N2O3 — CID 103802903

IUPAC2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-9(13)12(8-10(14)15)7-6-11(2)3/h4-8H2,1-3H3,(H,14,15)
InChIKeyYQDMGAXDBAJHMU-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.26
Rot. Bonds7

About 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 103802903) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID103802903
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-9(13)12(8-10(14)15)7-6-11(2)3/h4-8H2,1-3H3,(H,14,15)
InChIKeyYQDMGAXDBAJHMU-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butanoyl-[2-(dimethylamino)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-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 103802903) is 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid is CCCC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is YQDMGAXDBAJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-9(13)12(8-10(14)15)7-6-11(2)3/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 103802903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).