tris(carboxymethyl)-(1-carboxypropyl)azanium

C10H16NO8+ — CID 54558405

IUPACtris(carboxymethyl)-(1-carboxypropyl)azanium
SMILESCCC(C(=O)O)[N+](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15NO8/c1-2-6(10(18)19)11(3-7(12)13,4-8(14)15)5-9(16)17/h6H,2-5H2,1H3,(H3-,12,13,14,15,16,17,18,19)/p+1
InChIKeyPGBLPADNOZTMQL-UHFFFAOYSA-O
MW278.24 g/mol
LogP-1.08
Rot. Bonds9

About tris(carboxymethyl)-(1-carboxypropyl)azanium

tris(carboxymethyl)-(1-carboxypropyl)azanium (PubChem CID 54558405) has the molecular formula C10H16NO8+ and a molecular weight of 278.24 g/mol. Its IUPAC name is tris(carboxymethyl)-(1-carboxypropyl)azanium.

Molecular Properties

Compound Nametris(carboxymethyl)-(1-carboxypropyl)azanium
PubChem CID54558405
Molecular FormulaC10H16NO8+
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Nametris(carboxymethyl)-(1-carboxypropyl)azanium
SMILESCCC(C(=O)O)[N+](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15NO8/c1-2-6(10(18)19)11(3-7(12)13,4-8(14)15)5-9(16)17/h6H,2-5H2,1H3,(H3-,12,13,14,15,16,17,18,19)/p+1
InChIKeyPGBLPADNOZTMQL-UHFFFAOYSA-O
XLogP-1.08
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,2-Diaminopropane-N,N,N',N'-tetraacetic acid
CID 20442
Glycine, N,N'-(1,2-dimethyl-1,2-ethanediyl)bis(N-(carboxymethyl)-
CID 17156
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
N,N-Bis(carboxymethyl)alanine
CID 425415
(2S)-2-(dimethylamino)butanoic acid
CID 25758183
2-(Diethylamino)butanoic acid hydrochloride
CID 54594122
2-(Dimethylamino)butanoic acid hydrochloride
CID 71756398
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
1-Aspartate-n,n-diacetate
CID 9878179
N,N-Dipropyl-L-alanine
CID 14274716
Methylglycine diacetic acid
CID 18656106
2-(Diethylamino)butanoic acid
CID 23290221

Frequently Asked Questions

What is the IUPAC name of tris(carboxymethyl)-(1-carboxypropyl)azanium?
The IUPAC name of tris(carboxymethyl)-(1-carboxypropyl)azanium (CID 54558405) is tris(carboxymethyl)-(1-carboxypropyl)azanium.
What is the SMILES notation for tris(carboxymethyl)-(1-carboxypropyl)azanium?
The canonical SMILES for tris(carboxymethyl)-(1-carboxypropyl)azanium is CCC(C(=O)O)[N+](CC(=O)O)(CC(=O)O)CC(=O)O.
What is the InChIKey of tris(carboxymethyl)-(1-carboxypropyl)azanium?
The InChIKey is PGBLPADNOZTMQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO8/c1-2-6(10(18)19)11(3-7(12)13,4-8(14)15)5-9(16)17/h6H,2-5H2,1H3,(H3-,12,13,14,15,16,17,18,19)/p+1.
What are the key properties of tris(carboxymethyl)-(1-carboxypropyl)azanium?
tris(carboxymethyl)-(1-carboxypropyl)azanium has a molecular weight of 278.24 g/mol, XLogP of -1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carboxymethyl)-(1-carboxypropyl)azanium is sourced from PubChem (CID 54558405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).