7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid

C16H32N2O4Se2 — CID 66563348

IUPAC7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid
SMILESNCCCCCC(C[Se][Se]CC(CCCCCN)C(=O)O)C(=O)O
InChIInChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
InChIKeyRUZIZPNQGMERCW-UHFFFAOYSA-N
MW474.36 g/mol
LogP1.59
Rot. Bonds17

About 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid

7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid (PubChem CID 66563348) has the molecular formula C16H32N2O4Se2 and a molecular weight of 474.36 g/mol. Its IUPAC name is 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid.

Molecular Properties

Compound Name7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid
PubChem CID66563348
Molecular FormulaC16H32N2O4Se2
Molecular Weight474.36 g/mol
Exact Mass476.07
IUPAC Name7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid
SMILESNCCCCCC(C[Se][Se]CC(CCCCCN)C(=O)O)C(=O)O
InChIInChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
InChIKeyRUZIZPNQGMERCW-UHFFFAOYSA-N
XLogP1.59
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Decanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 165736
Dodecanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 83216
Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1)
CID 169778
7-Amino-2-(propanoylselanylmethyl)heptanoic acid
CID 66563225
1,4-Cyclohexanedicarboxylic acid, compd. with 1,11-undecanediamine (1:1)
CID 6452715
[(6R)-6-carboxy-7-lambda6-selanylheptyl]azanium
CID 78225450
Dodecanedioic acid, compd. with 1,11-undecanediamine (1:1)
CID 44151034
(2r)-7-Amino-2-(Selanylmethyl)heptanoic Acid
CID 137349169
Decane-1,10-diamine;tridecanedioic acid
CID 170853367
Decanedioic acid;dodecane-1,12-diamine
CID 20065297
Decane-1,10-diamine;dodecanedioic acid
CID 21082903
Decane-1,10-diamine;nonanedioic acid
CID 21330243

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid?
The IUPAC name of 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid (CID 66563348) is 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid.
What is the SMILES notation for 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid?
The canonical SMILES for 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid is NCCCCCC(C[Se][Se]CC(CCCCCN)C(=O)O)C(=O)O.
What is the InChIKey of 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid?
The InChIKey is RUZIZPNQGMERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22).
What are the key properties of 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid?
7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid has a molecular weight of 474.36 g/mol, XLogP of 1.59, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid is sourced from PubChem (CID 66563348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).