4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid

C13H27NO5Si — CID 175135536

IUPAC4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C(=O)OCCO[Si](C)(C)C
InChIInChI=1S/C13H27NO5Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19-20(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyRMEMRTCRHZFPJN-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.41
Rot. Bonds8

About 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid

4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid (PubChem CID 175135536) has the molecular formula C13H27NO5Si and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
PubChem CID175135536
Molecular FormulaC13H27NO5Si
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C(=O)OCCO[Si](C)(C)C
InChIInChI=1S/C13H27NO5Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19-20(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyRMEMRTCRHZFPJN-UHFFFAOYSA-N
XLogP2.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135533
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
CID 175137826
(2R)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
CID 172681243
(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid
CID 156767749
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 87389517
propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
CID 167226880
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
CID 162422079
nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91733215
decyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
CID 91729750
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid (CID 175135536) is 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid is CC(C)CC(C(=O)O)N(C)C(=O)OCCO[Si](C)(C)C.
What is the InChIKey of 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid?
The InChIKey is RMEMRTCRHZFPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19-20(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid?
4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid has a molecular weight of 305.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid is sourced from PubChem (CID 175135536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).