(3R)-3-amino-5-methylselanylpentanoic acid

C6H13NO2Se — CID 122173769

IUPAC(3R)-3-amino-5-methylselanylpentanoic acid
SMILESC[Se]CC[C@H](N)CC(=O)O
InChIInChI=1S/C6H13NO2Se/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyVVAPFFYTRIIOPT-YFKPBYRVSA-N
MW210.13 g/mol
LogP0.35
Rot. Bonds5

About (3R)-3-amino-5-methylselanylpentanoic acid

(3R)-3-amino-5-methylselanylpentanoic acid (PubChem CID 122173769) has the molecular formula C6H13NO2Se and a molecular weight of 210.13 g/mol. Its IUPAC name is (3R)-3-amino-5-methylselanylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-5-methylselanylpentanoic acid
PubChem CID122173769
Molecular FormulaC6H13NO2Se
Molecular Weight210.13 g/mol
Exact Mass211.01
IUPAC Name(3R)-3-amino-5-methylselanylpentanoic acid
SMILESC[Se]CC[C@H](N)CC(=O)O
InChIInChI=1S/C6H13NO2Se/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyVVAPFFYTRIIOPT-YFKPBYRVSA-N
XLogP0.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
CID 87967506
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
azane;3,5-diaminopentanoic acid
CID 173202896
3-aminononanoic acid
CID 2832746
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
3,7-diaminoheptanoic acid
CID 4695301
3-amino-12-hydroxydodecanoic acid
CID 146253643
3-aminodocosanedioic acid
CID 57269564
azane;3,5-diaminopentanoic acid;iron;hydrate
CID 173139840
2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
CID 73440789
3-amino-7-(methylamino)heptanoic acid
CID 20510151

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methylselanylpentanoic acid?
The IUPAC name of (3R)-3-amino-5-methylselanylpentanoic acid (CID 122173769) is (3R)-3-amino-5-methylselanylpentanoic acid.
What is the SMILES notation for (3R)-3-amino-5-methylselanylpentanoic acid?
The canonical SMILES for (3R)-3-amino-5-methylselanylpentanoic acid is C[Se]CC[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-5-methylselanylpentanoic acid?
The InChIKey is VVAPFFYTRIIOPT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2Se/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3R)-3-amino-5-methylselanylpentanoic acid?
(3R)-3-amino-5-methylselanylpentanoic acid has a molecular weight of 210.13 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methylselanylpentanoic acid is sourced from PubChem (CID 122173769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).