(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid

C20H32N2O7Si — CID 20590860

IUPAC(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid
SMILESCOC[C@@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C20H32N2O7Si/c1-20(2,3)30(5,6)29-13-16(11-15(12-28-4)19(24)25)21-18(23)14-7-9-17(10-8-14)22(26)27/h7-10,15-16H,11-13H2,1-6H3,(H,21,23)(H,24,25)/t15-,16+/m1/s1
InChIKeyBYVDLBWHPZJZOP-CVEARBPZSA-N
MW440.57 g/mol
LogP3.45
Rot. Bonds11

About (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid

(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid (PubChem CID 20590860) has the molecular formula C20H32N2O7Si and a molecular weight of 440.57 g/mol. Its IUPAC name is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid
PubChem CID20590860
Molecular FormulaC20H32N2O7Si
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid
SMILESCOC[C@@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C20H32N2O7Si/c1-20(2,3)30(5,6)29-13-16(11-15(12-28-4)19(24)25)21-18(23)14-7-9-17(10-8-14)22(26)27/h7-10,15-16H,11-13H2,1-6H3,(H,21,23)(H,24,25)/t15-,16+/m1/s1
InChIKeyBYVDLBWHPZJZOP-CVEARBPZSA-N
XLogP3.45
TPSA128.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid 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

prop-2-enyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoate
CID 59064560
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680
[(2S,4S)-4-benzyl-5-(hydroxyamino)-2-[(4-nitrobenzoyl)amino]-5-oxopentyl] acetate
CID 20590829
N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-nitrophenyl)butan-2-yl]-2,2-dichloroacetamide
CID 160664255
4-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 16794620
methyl 2-[(4-nitrobenzoyl)amino]-3-oxobutanoate
CID 44557871
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
4-hydroxy-N-[(2S)-1-methoxybutan-2-yl]-3-nitrobenzamide
CID 99576799
(2R,3S)-3-hydroxy-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 36690277
2-[(4-nitrobenzoyl)carbamothioylamino]propanoic acid
CID 15366369
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-nitrobenzamide
CID 22093743

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid?
The IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid (CID 20590860) is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid is COC[C@@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O.
What is the InChIKey of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid?
The InChIKey is BYVDLBWHPZJZOP-CVEARBPZSA-N. The full InChI is InChI=1S/C20H32N2O7Si/c1-20(2,3)30(5,6)29-13-16(11-15(12-28-4)19(24)25)21-18(23)14-7-9-17(10-8-14)22(26)27/h7-10,15-16H,11-13H2,1-6H3,(H,21,23)(H,24,25)/t15-,16+/m1/s1.
What are the key properties of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid?
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid has a molecular weight of 440.57 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-4-[(4-nitrobenzoyl)amino]pentanoic acid is sourced from PubChem (CID 20590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).