3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid

C11H22N2O3 — CID 82328942

IUPAC3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)8-13(6-4-11(15)16)7-5-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyOMFMZFGGDTZUQB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds8

About 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid

3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid (PubChem CID 82328942) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
PubChem CID82328942
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)8-13(6-4-11(15)16)7-5-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyOMFMZFGGDTZUQB-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330021
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330169
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
CID 91527468

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid (CID 82328942) is 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid is CC(=O)NCCN(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is OMFMZFGGDTZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)8-13(6-4-11(15)16)7-5-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid?
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 82328942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).