(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid

C17H27NO6Si — CID 154027617

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)N(OC(=O)OCc1ccccc1)[C@H](CO)C(=O)O
InChIInChI=1S/C17H27NO6Si/c1-17(2,3)25(4,5)18(14(11-19)15(20)21)24-16(22)23-12-13-9-7-6-8-10-13/h6-10,14,19H,11-12H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyZXKGVJISVHODKN-CQSZACIVSA-N
MW369.49 g/mol
LogP3.01
Rot. Bonds7

About (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid

(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid (PubChem CID 154027617) has the molecular formula C17H27NO6Si and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid
PubChem CID154027617
Molecular FormulaC17H27NO6Si
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)N(OC(=O)OCc1ccccc1)[C@H](CO)C(=O)O
InChIInChI=1S/C17H27NO6Si/c1-17(2,3)25(4,5)18(14(11-19)15(20)21)24-16(22)23-12-13-9-7-6-8-10-13/h6-10,14,19H,11-12H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyZXKGVJISVHODKN-CQSZACIVSA-N
XLogP3.01
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
3,3-dimethyl-2-phenylmethoxycarbonylbutanoic acid
CID 22111780
benzyl (2-hydroxy-2-phenylpropyl) carbonate
CID 139815152
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 11689460
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 159754279
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate
CID 91753830
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 158253839
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid (CID 154027617) is (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid is CC(C)(C)[Si](C)(C)N(OC(=O)OCc1ccccc1)[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid?
The InChIKey is ZXKGVJISVHODKN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO6Si/c1-17(2,3)25(4,5)18(14(11-19)15(20)21)24-16(22)23-12-13-9-7-6-8-10-13/h6-10,14,19H,11-12H2,1-5H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid?
(2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid has a molecular weight of 369.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]-phenylmethoxycarbonyloxyamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 154027617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).