(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C17H27NO4Si — CID 15453554

IUPAC(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC[Si](C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)22-16(21)18-14(15(19)20)11-12-23(4,5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyQYUQVSOHHNVZGY-CQSZACIVSA-N
MW337.49 g/mol
LogP2.97
Rot. Bonds6

About (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 15453554) has the molecular formula C17H27NO4Si and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID15453554
Molecular FormulaC17H27NO4Si
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC[Si](C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)22-16(21)18-14(15(19)20)11-12-23(4,5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyQYUQVSOHHNVZGY-CQSZACIVSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-Trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylhex-4-enoic acid
CID 78088561
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
(Z)-6,6,6-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylhex-4-enoic acid
CID 117733318
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 10741724
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylselanylbutanoic acid
CID 11121876
tert-butyl N-[(E,2S,3S)-3-[dimethyl(phenyl)silyl]-1-hydroxyoctadec-4-en-2-yl]carbamate
CID 11692084
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylbutanoate
CID 72999342
tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 100997661
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 15453554) is (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)N[C@H](CC[Si](C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is QYUQVSOHHNVZGY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO4Si/c1-17(2,3)22-16(21)18-14(15(19)20)11-12-23(4,5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 337.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 15453554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).