(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid

C12H25NO5Si — CID 169085960

IUPAC(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@](O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H25NO5Si/c1-11(2,3)18-10(16)13-8-7-12(17,9(14)15)19(4,5)6/h17H,7-8H2,1-6H3,(H,13,16)(H,14,15)/t12-/m0/s1
InChIKeyFGLZEAILWRUDTD-LBPRGKRZSA-N
MW291.42 g/mol
LogP1.59
Rot. Bonds5

About (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid

(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid (PubChem CID 169085960) has the molecular formula C12H25NO5Si and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid
PubChem CID169085960
Molecular FormulaC12H25NO5Si
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@](O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H25NO5Si/c1-11(2,3)18-10(16)13-8-7-12(17,9(14)15)19(4,5)6/h17H,7-8H2,1-6H3,(H,13,16)(H,14,15)/t12-/m0/s1
InChIKeyFGLZEAILWRUDTD-LBPRGKRZSA-N
XLogP1.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 54157326
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
CID 86028262
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
(2S)-2-deuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 138962729
ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate
CID 174892013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid (CID 169085960) is (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid is CC(C)(C)OC(=O)NCC[C@@](O)(C(=O)O)[Si](C)(C)C.
What is the InChIKey of (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid?
The InChIKey is FGLZEAILWRUDTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO5Si/c1-11(2,3)18-10(16)13-8-7-12(17,9(14)15)19(4,5)6/h17H,7-8H2,1-6H3,(H,13,16)(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid?
(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid has a molecular weight of 291.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid is sourced from PubChem (CID 169085960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).