2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))

C14H18N2O8Pb2 — CID 88642726

IUPAC2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))
SMILESNC1(N)CCCC(CC(=O)[O-])(CC(=O)[O-])C1(CC(=O)[O-])CC(=O)[O-].[Pb+2].[Pb+2]
InChIInChI=1S/C14H22N2O8.2Pb/c15-14(16)3-1-2-12(4-8(17)18,5-9(19)20)13(14,6-10(21)22)7-11(23)24;;/h1-7,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4
InChIKeyOYEUXXMQIPKGQC-UHFFFAOYSA-J
MW756.70 g/mol
LogP-6.44
Rot. Bonds8

About 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))

2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)) (PubChem CID 88642726) has the molecular formula C14H18N2O8Pb2 and a molecular weight of 756.70 g/mol. Its IUPAC name is 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)).

Molecular Properties

Compound Name2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))
PubChem CID88642726
Molecular FormulaC14H18N2O8Pb2
Molecular Weight756.70 g/mol
Exact Mass758.06
IUPAC Name2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))
SMILESNC1(N)CCCC(CC(=O)[O-])(CC(=O)[O-])C1(CC(=O)[O-])CC(=O)[O-].[Pb+2].[Pb+2]
InChIInChI=1S/C14H22N2O8.2Pb/c15-14(16)3-1-2-12(4-8(17)18,5-9(19)20)13(14,6-10(21)22)7-11(23)24;;/h1-7,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4
InChIKeyOYEUXXMQIPKGQC-UHFFFAOYSA-J
XLogP-6.44
TPSA212.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500756.70
LogP ≤ 5-6.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))?
The IUPAC name of 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)) (CID 88642726) is 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)).
What is the SMILES notation for 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))?
The canonical SMILES for 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)) is NC1(N)CCCC(CC(=O)[O-])(CC(=O)[O-])C1(CC(=O)[O-])CC(=O)[O-].[Pb+2].[Pb+2].
What is the InChIKey of 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))?
The InChIKey is OYEUXXMQIPKGQC-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H22N2O8.2Pb/c15-14(16)3-1-2-12(4-8(17)18,5-9(19)20)13(14,6-10(21)22)7-11(23)24;;/h1-7,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4.
What are the key properties of 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+))?
2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)) has a molecular weight of 756.70 g/mol, XLogP of -6.44, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diamino-1,2,2-tris(carboxylatomethyl)cyclohexyl]acetate;bis(lead(2+)) is sourced from PubChem (CID 88642726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).