(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane

C10H20N2O7Si — CID 174436871

IUPAC(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane
SMILESCOC(=O)C(N)CC(=O)O[C@H]1CN[C@H](C(=O)O)C1.O[SiH3]
InChIInChI=1S/C10H16N2O6.H4OSi/c1-17-10(16)6(11)3-8(13)18-5-2-7(9(14)15)12-4-5;1-2/h5-7,12H,2-4,11H2,1H3,(H,14,15);1H,2H3/t5-,6?,7+;/m1./s1
InChIKeyAVXDNTULBITWMV-NAZYBQMSSA-N
MW308.36 g/mol
LogP-3.51
Rot. Bonds5

About (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane

(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane (PubChem CID 174436871) has the molecular formula C10H20N2O7Si and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane.

Molecular Properties

Compound Name(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane
PubChem CID174436871
Molecular FormulaC10H20N2O7Si
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane
SMILESCOC(=O)C(N)CC(=O)O[C@H]1CN[C@H](C(=O)O)C1.O[SiH3]
InChIInChI=1S/C10H16N2O6.H4OSi/c1-17-10(16)6(11)3-8(13)18-5-2-7(9(14)15)12-4-5;1-2/h5-7,12H,2-4,11H2,1H3,(H,14,15);1H,2H3/t5-,6?,7+;/m1./s1
InChIKeyAVXDNTULBITWMV-NAZYBQMSSA-N
XLogP-3.51
TPSA148.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-3.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane?
The IUPAC name of (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane (CID 174436871) is (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane.
What is the SMILES notation for (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane?
The canonical SMILES for (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane is COC(=O)C(N)CC(=O)O[C@H]1CN[C@H](C(=O)O)C1.O[SiH3].
What is the InChIKey of (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane?
The InChIKey is AVXDNTULBITWMV-NAZYBQMSSA-N. The full InChI is InChI=1S/C10H16N2O6.H4OSi/c1-17-10(16)6(11)3-8(13)18-5-2-7(9(14)15)12-4-5;1-2/h5-7,12H,2-4,11H2,1H3,(H,14,15);1H,2H3/t5-,6?,7+;/m1./s1.
What are the key properties of (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane?
(2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane has a molecular weight of 308.36 g/mol, XLogP of -3.51, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(3-amino-4-methoxy-4-oxobutanoyl)oxypyrrolidine-2-carboxylic acid;hydroxysilane is sourced from PubChem (CID 174436871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).