2-[bis(1-carboxyethyl)amino]pentanedioic acid

C11H17NO8 — CID 22280241

IUPAC2-[bis(1-carboxyethyl)amino]pentanedioic acid
SMILESCC(C(=O)O)N(C(C)C(=O)O)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H17NO8/c1-5(9(15)16)12(6(2)10(17)18)7(11(19)20)3-4-8(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyIXAUOBXFVJLDCE-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.45
Rot. Bonds9

About 2-[bis(1-carboxyethyl)amino]pentanedioic acid

2-[bis(1-carboxyethyl)amino]pentanedioic acid (PubChem CID 22280241) has the molecular formula C11H17NO8 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[bis(1-carboxyethyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[bis(1-carboxyethyl)amino]pentanedioic acid
PubChem CID22280241
Molecular FormulaC11H17NO8
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name2-[bis(1-carboxyethyl)amino]pentanedioic acid
SMILESCC(C(=O)O)N(C(C)C(=O)O)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H17NO8/c1-5(9(15)16)12(6(2)10(17)18)7(11(19)20)3-4-8(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyIXAUOBXFVJLDCE-UHFFFAOYSA-N
XLogP-0.45
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

copper 2-[bis(carboxymethyl)amino]pentanedioic acid
CID 91664372
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
[[(1S)-1,3-dicarboxypropyl]-ethylamino]-hydroxy-oxophosphanium
CID 87518903
(2S)-2-[di(prop-2-enoyl)amino]pentanedioic acid
CID 57114411
calcium;hydride;2-methylpentanedioic acid
CID 173414295
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
2-[hydroxy(phosphonomethyl)amino]pentanedioic acid
CID 87463060
(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid
CID 155208828
2-[bis(1-aminoethyl)amino]propanoic acid
CID 87525384
magnesium;hydride;4-methylpentanoic acid
CID 174689724
(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
CID 91799587

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-carboxyethyl)amino]pentanedioic acid?
The IUPAC name of 2-[bis(1-carboxyethyl)amino]pentanedioic acid (CID 22280241) is 2-[bis(1-carboxyethyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[bis(1-carboxyethyl)amino]pentanedioic acid?
The canonical SMILES for 2-[bis(1-carboxyethyl)amino]pentanedioic acid is CC(C(=O)O)N(C(C)C(=O)O)C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[bis(1-carboxyethyl)amino]pentanedioic acid?
The InChIKey is IXAUOBXFVJLDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO8/c1-5(9(15)16)12(6(2)10(17)18)7(11(19)20)3-4-8(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-[bis(1-carboxyethyl)amino]pentanedioic acid?
2-[bis(1-carboxyethyl)amino]pentanedioic acid has a molecular weight of 291.26 g/mol, XLogP of -0.45, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-carboxyethyl)amino]pentanedioic acid is sourced from PubChem (CID 22280241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).