(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C29H33NO5Si — CID 10744100

IUPAC(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO5Si/c1-29(2,3)36(23-15-9-5-10-16-23,24-17-11-6-12-18-24)35-25-19-20-30(26(25)27(31)32)28(33)34-21-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3,(H,31,32)/t25-,26+/m0/s1
InChIKeyDLBWURSMLZBVEW-IZZNHLLZSA-N
MW503.67 g/mol
LogP4.43
Rot. Bonds7

About (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 10744100) has the molecular formula C29H33NO5Si and a molecular weight of 503.67 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID10744100
Molecular FormulaC29H33NO5Si
Molecular Weight503.67 g/mol
Exact Mass503.21
IUPAC Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO5Si/c1-29(2,3)36(23-15-9-5-10-16-23,24-17-11-6-12-18-24)35-25-19-20-30(26(25)27(31)32)28(33)34-21-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3,(H,31,32)/t25-,26+/m0/s1
InChIKeyDLBWURSMLZBVEW-IZZNHLLZSA-N
XLogP4.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Z-O-tert-butyl-L-trans-4-hydroxyproline
CID 2802356
Boc-Hyp(Bzl)-OH
CID 11860409
N-Cbz-cis-4-Hydroxy-L-proline methyl ester
CID 688413
1-(Phenylmethyl) (2R,4R)-4-methoxy-1,2-pyrrolidinedicarboxylate
CID 11687747
(2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 12849521
2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
CID 688411
1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 325313
4-[(Benzyloxy)carbonyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 132327997
N-tert-butoxycarbonyl-trans-4-hydroxy-D-proline diphenylmethyl ester
CID 10548832
2-benzyl 1-tert-butyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 10925282
Dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 11783205
N-Cbz-4-hydroxy-L-proline methyl ester
CID 13942746

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 10744100) is (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CC(C)(C)[Si](O[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is DLBWURSMLZBVEW-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H33NO5Si/c1-29(2,3)36(23-15-9-5-10-16-23,24-17-11-6-12-18-24)35-25-19-20-30(26(25)27(31)32)28(33)34-21-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3,(H,31,32)/t25-,26+/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 503.67 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10744100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).