(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid

C14H29NO5Si — CID 89136384

IUPAC(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C14H29NO5Si/c1-14(2,3)21(4,5)20-8-6-7-10(12(16)17)9-11(15)13(18)19/h10-11H,6-9,15H2,1-5H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyRGZVNFPBLUAJNW-QWRGUYRKSA-N
MW319.47 g/mol
LogP2.29
Rot. Bonds9

About (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid

(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid (PubChem CID 89136384) has the molecular formula C14H29NO5Si and a molecular weight of 319.47 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
PubChem CID89136384
Molecular FormulaC14H29NO5Si
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C14H29NO5Si/c1-14(2,3)21(4,5)20-8-6-7-10(12(16)17)9-11(15)13(18)19/h10-11H,6-9,15H2,1-5H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyRGZVNFPBLUAJNW-QWRGUYRKSA-N
XLogP2.29
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
CID 162143782
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,4-trifluorobutanoic acid
CID 140678729
(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(tritylamino)pentanedioic acid
CID 70941521
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid?
The IUPAC name of (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid (CID 89136384) is (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid?
The canonical SMILES for (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid is CC(C)(C)[Si](C)(C)OCCC[C@@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid?
The InChIKey is RGZVNFPBLUAJNW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H29NO5Si/c1-14(2,3)21(4,5)20-8-6-7-10(12(16)17)9-11(15)13(18)19/h10-11H,6-9,15H2,1-5H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid?
(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid has a molecular weight of 319.47 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid is sourced from PubChem (CID 89136384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).