3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid

C10H20N2O4 — CID 21426937

IUPAC3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCN)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(9(13)14)5-12(4-3-11)6-8(2)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVRKRCEYCVKTGRH-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.31
Rot. Bonds8

About 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid

3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid (PubChem CID 21426937) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid
PubChem CID21426937
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCN)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(9(13)14)5-12(4-3-11)6-8(2)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVRKRCEYCVKTGRH-UHFFFAOYSA-N
XLogP-0.31
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethylenediamine-N,N'-dipropionic Acid Dihydrochloride
CID 11437359
Ethylenediamine-N,N'-dipropionic acid
CID 535840
4,7,10-Triazatridecanedioic acid
CID 23422359
3-[Bis(3-aminopropyl)amino]propanoic acid
CID 57029335
1,4,8,11-Tetraazacyclotetradecane-6,13-dicarboxylic acid
CID 67225401
6-Carboxy-1,4,8,11-tetraazaundecane
CID 129731225
3-[2-(Ethylamino)ethylamino]propanoic acid
CID 15769358
2,2-Dimethyl-3-(piperazin-1-yl)propanoic acid
CID 60205087
3-(Aminoethyl-methyl-amino)-propionic acid trifluoroacetic acid salt
CID 86647139
3-[2-(2-Fluoroethylamino)ethyl-methylamino]propanoic acid
CID 172335942
1,4,8,12-Tetrazacyclopentadecane-10-carboxylic acid
CID 85759682
3-(2-Aminoethylamino)-2(2-aminoethylaminomethyl)-propionate copper(II) perchlorate
CID 129731224

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid (CID 21426937) is 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid is CC(CN(CCN)CC(C)C(=O)O)C(=O)O.
What is the InChIKey of 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is VRKRCEYCVKTGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(9(13)14)5-12(4-3-11)6-8(2)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid?
3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 21426937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).