carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium

C10H19N2O6+ — CID 54346614

IUPACcarbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium
SMILESCC(C)C[N+](CC(=O)O)(CC(O)C(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O6/c1-6(2)3-12(10(11)18,5-8(14)15)4-7(13)9(16)17/h6-7,13H,3-5H2,1-2H3,(H3-,11,14,15,16,17,18)/p+1
InChIKeyUXHGPZGWGMSABX-UHFFFAOYSA-O
MW263.27 g/mol
LogP-0.93
Rot. Bonds7

About carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium

carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium (PubChem CID 54346614) has the molecular formula C10H19N2O6+ and a molecular weight of 263.27 g/mol. Its IUPAC name is carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium.

Molecular Properties

Compound Namecarbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium
PubChem CID54346614
Molecular FormulaC10H19N2O6+
Molecular Weight263.27 g/mol
Exact Mass263.12
IUPAC Namecarbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium
SMILESCC(C)C[N+](CC(=O)O)(CC(O)C(=O)O)C(N)=O
InChIInChI=1S/C10H18N2O6/c1-6(2)3-12(10(11)18,5-8(14)15)4-7(13)9(16)17/h6-7,13H,3-5H2,1-2H3,(H3-,11,14,15,16,17,18)/p+1
InChIKeyUXHGPZGWGMSABX-UHFFFAOYSA-O
XLogP-0.93
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.93
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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Frequently Asked Questions

What is the IUPAC name of carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium?
The IUPAC name of carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium (CID 54346614) is carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium.
What is the SMILES notation for carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium?
The canonical SMILES for carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium is CC(C)C[N+](CC(=O)O)(CC(O)C(=O)O)C(N)=O.
What is the InChIKey of carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium?
The InChIKey is UXHGPZGWGMSABX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O6/c1-6(2)3-12(10(11)18,5-8(14)15)4-7(13)9(16)17/h6-7,13H,3-5H2,1-2H3,(H3-,11,14,15,16,17,18)/p+1.
What are the key properties of carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium?
carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium has a molecular weight of 263.27 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl-(2-carboxy-2-hydroxyethyl)-(carboxymethyl)-(2-methylpropyl)azanium is sourced from PubChem (CID 54346614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).