2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid

C16H29NO5Si — CID 10405189

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid
SMILESC=CCOC(=O)N1CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H29NO5Si/c1-7-11-21-15(20)17-10-8-9-12(17)13(14(18)19)22-23(5,6)16(2,3)4/h7,12-13H,1,8-11H2,2-6H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyUMVRCXMMFLCHPY-UEWDXFNNSA-N
MW343.50 g/mol
LogP3.25
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid (PubChem CID 10405189) has the molecular formula C16H29NO5Si and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid
PubChem CID10405189
Molecular FormulaC16H29NO5Si
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid
SMILESC=CCOC(=O)N1CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H29NO5Si/c1-7-11-21-15(20)17-10-8-9-12(17)13(14(18)19)22-23(5,6)16(2,3)4/h7,12-13H,1,8-11H2,2-6H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyUMVRCXMMFLCHPY-UEWDXFNNSA-N
XLogP3.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid (CID 10405189) is 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid is C=CCOC(=O)N1CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid?
The InChIKey is UMVRCXMMFLCHPY-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H29NO5Si/c1-7-11-21-15(20)17-10-8-9-12(17)13(14(18)19)22-23(5,6)16(2,3)4/h7,12-13H,1,8-11H2,2-6H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid has a molecular weight of 343.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 10405189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).