CID 163362392

C3H8NO3Se — CID 163362392

IUPAC—
SMILESN[C@@H](C[Se])C(=O)O.O
InChIInChI=1S/C3H6NO2Se.H2O/c4-2(1-7)3(5)6;/h2H,1,4H2,(H,5,6);1H2/t2-;/m0./s1
InChIKeyGGTFMVSOYIDZOD-DKWTVANSSA-N
MW185.06 g/mol
LogP-1.84
Rot. Bonds2

About CID 163362392

CID 163362392 (PubChem CID 163362392) has the molecular formula C3H8NO3Se and a molecular weight of 185.06 g/mol.

Molecular Properties

Compound NameCID 163362392
PubChem CID163362392
Molecular FormulaC3H8NO3Se
Molecular Weight185.06 g/mol
Exact Mass185.97
IUPAC Name—
SMILESN[C@@H](C[Se])C(=O)O.O
InChIInChI=1S/C3H6NO2Se.H2O/c4-2(1-7)3(5)6;/h2H,1,4H2,(H,5,6);1H2/t2-;/m0./s1
InChIKeyGGTFMVSOYIDZOD-DKWTVANSSA-N
XLogP-1.84
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 5-1.84
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

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2,3-diaminopropanoic acid
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CID 57364743
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
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(2S)-2-aminopentanedioic acid;heptahydrate
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(2S,7S)-2,7-diaminooctanedioic acid
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Frequently Asked Questions

What is the IUPAC name of CID 163362392?
The IUPAC name of CID 163362392 (CID 163362392) is not available.
What is the SMILES notation for CID 163362392?
The canonical SMILES for CID 163362392 is N[C@@H](C[Se])C(=O)O.O.
What is the InChIKey of CID 163362392?
The InChIKey is GGTFMVSOYIDZOD-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6NO2Se.H2O/c4-2(1-7)3(5)6;/h2H,1,4H2,(H,5,6);1H2/t2-;/m0./s1.
What are the key properties of CID 163362392?
CID 163362392 has a molecular weight of 185.06 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163362392 is sourced from PubChem (CID 163362392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).