2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid

C12H26N2O2 — CID 107426132

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
SMILESCCC(C(C)C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-11(10(2)3)14(9-12(15)16)8-7-13(4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyZEDQQGZVEIYSAI-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.37
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid (PubChem CID 107426132) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
PubChem CID107426132
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
SMILESCCC(C(C)C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-11(10(2)3)14(9-12(15)16)8-7-13(4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyZEDQQGZVEIYSAI-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-methylpentan-3-yl)amino]acetic acid
CID 65056587
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
CID 79285638
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425598
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
CID 107426142
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
CID 107426247
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid (CID 107426132) is 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid is CCC(C(C)C)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid?
The InChIKey is ZEDQQGZVEIYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-11(10(2)3)14(9-12(15)16)8-7-13(4)5/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid has a molecular weight of 230.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid is sourced from PubChem (CID 107426132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).