2-amino-3-hydroxyselanylpropanoic acid

C3H7NO3Se — CID 175022065

IUPAC2-amino-3-hydroxyselanylpropanoic acid
SMILESNC(C[Se]O)C(=O)O
InChIInChI=1S/C3H7NO3Se/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)
InChIKeyQPSYUTFWFFNRDJ-UHFFFAOYSA-N
MW184.05 g/mol
LogP-1.57
Rot. Bonds3

About 2-amino-3-hydroxyselanylpropanoic acid

2-amino-3-hydroxyselanylpropanoic acid (PubChem CID 175022065) has the molecular formula C3H7NO3Se and a molecular weight of 184.05 g/mol. Its IUPAC name is 2-amino-3-hydroxyselanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxyselanylpropanoic acid
PubChem CID175022065
Molecular FormulaC3H7NO3Se
Molecular Weight184.05 g/mol
Exact Mass184.96
IUPAC Name2-amino-3-hydroxyselanylpropanoic acid
SMILESNC(C[Se]O)C(=O)O
InChIInChI=1S/C3H7NO3Se/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)
InChIKeyQPSYUTFWFFNRDJ-UHFFFAOYSA-N
XLogP-1.57
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
CID 163103371
2-amino-3-ethylselanylpropanoic acid
CID 71337670
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
CID 102413484
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
2,4,6-triaminoheptanedioic acid
CID 71362819
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxyselanylpropanoic acid?
The IUPAC name of 2-amino-3-hydroxyselanylpropanoic acid (CID 175022065) is 2-amino-3-hydroxyselanylpropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxyselanylpropanoic acid?
The canonical SMILES for 2-amino-3-hydroxyselanylpropanoic acid is NC(C[Se]O)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxyselanylpropanoic acid?
The InChIKey is QPSYUTFWFFNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3Se/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6).
What are the key properties of 2-amino-3-hydroxyselanylpropanoic acid?
2-amino-3-hydroxyselanylpropanoic acid has a molecular weight of 184.05 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxyselanylpropanoic acid is sourced from PubChem (CID 175022065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).