(2R)-7-amino-2-(selanylmethyl)heptanoic acid

C8H17NO2Se — CID 137349169

IUPAC(2R)-7-amino-2-(selanylmethyl)heptanoic acid
SMILESNCCCCC[C@@H](C[SeH])C(=O)O
InChIInChI=1S/C8H17NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1
InChIKeyPKYDFIWWGOFUJY-ZETCQYMHSA-N
MW238.19 g/mol
LogP0.53
Rot. Bonds7

About (2R)-7-amino-2-(selanylmethyl)heptanoic acid

(2R)-7-amino-2-(selanylmethyl)heptanoic acid (PubChem CID 137349169) has the molecular formula C8H17NO2Se and a molecular weight of 238.19 g/mol. Its IUPAC name is (2R)-7-amino-2-(selanylmethyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-7-amino-2-(selanylmethyl)heptanoic acid
PubChem CID137349169
Molecular FormulaC8H17NO2Se
Molecular Weight238.19 g/mol
Exact Mass239.04
IUPAC Name(2R)-7-amino-2-(selanylmethyl)heptanoic acid
SMILESNCCCCC[C@@H](C[SeH])C(=O)O
InChIInChI=1S/C8H17NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1
InChIKeyPKYDFIWWGOFUJY-ZETCQYMHSA-N
XLogP0.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-amino-2-(selanylmethyl)heptanoic acid?
The IUPAC name of (2R)-7-amino-2-(selanylmethyl)heptanoic acid (CID 137349169) is (2R)-7-amino-2-(selanylmethyl)heptanoic acid.
What is the SMILES notation for (2R)-7-amino-2-(selanylmethyl)heptanoic acid?
The canonical SMILES for (2R)-7-amino-2-(selanylmethyl)heptanoic acid is NCCCCC[C@@H](C[SeH])C(=O)O.
What is the InChIKey of (2R)-7-amino-2-(selanylmethyl)heptanoic acid?
The InChIKey is PKYDFIWWGOFUJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2R)-7-amino-2-(selanylmethyl)heptanoic acid?
(2R)-7-amino-2-(selanylmethyl)heptanoic acid has a molecular weight of 238.19 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-2-(selanylmethyl)heptanoic acid is sourced from PubChem (CID 137349169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).