(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide

C21H37N3O2Si — CID 24997287

IUPAC(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide
SMILESCC(C)[C@H](NC[C@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H37N3O2Si/c1-15(2)19(20(25)23-16-11-9-8-10-12-16)22-13-17-18(24-17)14-26-27(6,7)21(3,4)5/h8-12,15,17-19,22,24H,13-14H2,1-7H3,(H,23,25)/t17-,18+,19+/m1/s1
InChIKeyGLNUGKUVTSHWAQ-QYZOEREBSA-N
MW391.63 g/mol
LogP3.60
Rot. Bonds9

About (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide

(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide (PubChem CID 24997287) has the molecular formula C21H37N3O2Si and a molecular weight of 391.63 g/mol. Its IUPAC name is (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide
PubChem CID24997287
Molecular FormulaC21H37N3O2Si
Molecular Weight391.63 g/mol
Exact Mass391.27
IUPAC Name(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide
SMILESCC(C)[C@H](NC[C@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H37N3O2Si/c1-15(2)19(20(25)23-16-11-9-8-10-12-16)22-13-17-18(24-17)14-26-27(6,7)21(3,4)5/h8-12,15,17-19,22,24H,13-14H2,1-7H3,(H,23,25)/t17-,18+,19+/m1/s1
InChIKeyGLNUGKUVTSHWAQ-QYZOEREBSA-N
XLogP3.60
TPSA72.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide
CID 59620904
(2S)-3-methyl-2-[[(2S,3S)-3-methylaziridin-2-yl]methylamino]-N-phenylbutanamide
CID 87164646
3-methyl-N-phenyl-2-[(3-phenylaziridin-2-yl)methylamino]butanamide
CID 25002044
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
(4S,5S)-4-anilino-9-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylnonan-3-one
CID 172564229
9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
CID 14440771
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide?
The IUPAC name of (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide (CID 24997287) is (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide.
What is the SMILES notation for (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide?
The canonical SMILES for (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide is CC(C)[C@H](NC[C@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide?
The InChIKey is GLNUGKUVTSHWAQ-QYZOEREBSA-N. The full InChI is InChI=1S/C21H37N3O2Si/c1-15(2)19(20(25)23-16-11-9-8-10-12-16)22-13-17-18(24-17)14-26-27(6,7)21(3,4)5/h8-12,15,17-19,22,24H,13-14H2,1-7H3,(H,23,25)/t17-,18+,19+/m1/s1.
What are the key properties of (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide?
(2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide has a molecular weight of 391.63 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methylamino]-3-methyl-N-phenylbutanamide is sourced from PubChem (CID 24997287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).