(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid

C13H30N2O3Si — CID 59831403

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
SMILESCNC[C@@H](C[C@H](NC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30N2O3Si/c1-13(2,3)19(6,7)18-10(9-14-4)8-11(15-5)12(16)17/h10-11,14-15H,8-9H2,1-7H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyTYLKFGGHWUTGHM-MNOVXSKESA-N
MW290.48 g/mol
LogP1.66
Rot. Bonds8

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid (PubChem CID 59831403) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
PubChem CID59831403
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
SMILESCNC[C@@H](C[C@H](NC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30N2O3Si/c1-13(2,3)19(6,7)18-10(9-14-4)8-11(15-5)12(16)17/h10-11,14-15H,8-9H2,1-7H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyTYLKFGGHWUTGHM-MNOVXSKESA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.66
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

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
benzyl (2S)-2-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoyl]amino]-3-[5-[3-[(2S)-2-(methylamino)-3-oxobutyl]-4-phenylmethoxyphenyl]-2-phenylmethoxyphenyl]propanoate
CID 59831420
3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 123308582
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid (CID 59831403) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid is CNC[C@@H](C[C@H](NC)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid?
The InChIKey is TYLKFGGHWUTGHM-MNOVXSKESA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-13(2,3)19(6,7)18-10(9-14-4)8-11(15-5)12(16)17/h10-11,14-15H,8-9H2,1-7H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid has a molecular weight of 290.48 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid is sourced from PubChem (CID 59831403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).