[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate

C6H11NO4Se — CID 172765820

IUPAC[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate
SMILESC[Se+](C[C@](C)(N)C(=O)O)C(=O)[O-]
InChIInChI=1S/C6H11NO4Se/c1-6(7,4(8)9)3-12(2)5(10)11/h3,7H2,1-2H3,(H-,8,9,10,11)/t6-,12?/m0/s1
InChIKeyMHJZPXCFWARWCH-RLWMBFFFSA-N
MW240.12 g/mol
LogP-1.16
Rot. Bonds4

About [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate

[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate (PubChem CID 172765820) has the molecular formula C6H11NO4Se and a molecular weight of 240.12 g/mol. Its IUPAC name is [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate.

Molecular Properties

Compound Name[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate
PubChem CID172765820
Molecular FormulaC6H11NO4Se
Molecular Weight240.12 g/mol
Exact Mass240.99
IUPAC Name[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate
SMILESC[Se+](C[C@](C)(N)C(=O)O)C(=O)[O-]
InChIInChI=1S/C6H11NO4Se/c1-6(7,4(8)9)3-12(2)5(10)11/h3,7H2,1-2H3,(H-,8,9,10,11)/t6-,12?/m0/s1
InChIKeyMHJZPXCFWARWCH-RLWMBFFFSA-N
XLogP-1.16
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxypropyl]disulfanyl]-2-methylpropanoic acid;dihydrochloride
CID 175936776
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride
CID 86584393
(2S)-2-amino-3-cyano-2-methylpropanoic acid
CID 45086571
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
CID 107755772
2-amino-2,4-dimethylpentanedioic acid
CID 87224787

Frequently Asked Questions

What is the IUPAC name of [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate?
The IUPAC name of [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate (CID 172765820) is [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate.
What is the SMILES notation for [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate?
The canonical SMILES for [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate is C[Se+](C[C@](C)(N)C(=O)O)C(=O)[O-].
What is the InChIKey of [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate?
The InChIKey is MHJZPXCFWARWCH-RLWMBFFFSA-N. The full InChI is InChI=1S/C6H11NO4Se/c1-6(7,4(8)9)3-12(2)5(10)11/h3,7H2,1-2H3,(H-,8,9,10,11)/t6-,12?/m0/s1.
What are the key properties of [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate?
[[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate has a molecular weight of 240.12 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-2-amino-2-carboxypropyl]-methylselaniumyl]formate is sourced from PubChem (CID 172765820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).