(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid

C14H30N2O4Si — CID 10765183

IUPAC(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H30N2O4Si/c1-9(2)8-11(14(19)20)16-13(18)12(17)10(15)6-7-21(3,4)5/h9-12,17H,6-8,15H2,1-5H3,(H,16,18)(H,19,20)/t10-,11+,12+/m1/s1
InChIKeyFODQBMQWROYUJG-WOPDTQHZSA-N
MW318.49 g/mol
LogP1.02
Rot. Bonds9

About (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid

(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid (PubChem CID 10765183) has the molecular formula C14H30N2O4Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid
PubChem CID10765183
Molecular FormulaC14H30N2O4Si
Molecular Weight318.49 g/mol
Exact Mass318.20
IUPAC Name(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H30N2O4Si/c1-9(2)8-11(14(19)20)16-13(18)12(17)10(15)6-7-21(3,4)5/h9-12,17H,6-8,15H2,1-5H3,(H,16,18)(H,19,20)/t10-,11+,12+/m1/s1
InChIKeyFODQBMQWROYUJG-WOPDTQHZSA-N
XLogP1.02
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18224375
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5,5-diphenylpentanoyl]amino]-4-methylpentanoic acid
CID 51356563
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393
(2S)-2-[[3-amino-2-hydroxy-4-[4-(2-methylpropyl)phenyl]butanoyl]amino]-4-methylpentanoic acid
CID 12819558
2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18745306
2-(2,6-diaminohexanoylamino)-4-methylpentanoic acid
CID 4682588
(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;molecular hydrogen
CID 159435326
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid (CID 10765183) is (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid?
The InChIKey is FODQBMQWROYUJG-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H30N2O4Si/c1-9(2)8-11(14(19)20)16-13(18)12(17)10(15)6-7-21(3,4)5/h9-12,17H,6-8,15H2,1-5H3,(H,16,18)(H,19,20)/t10-,11+,12+/m1/s1.
What are the key properties of (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid?
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid has a molecular weight of 318.49 g/mol, XLogP of 1.02, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-trimethylsilylpentanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 10765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).