(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride

C19H32BClN2O5 — CID 168920099

IUPAC(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)N[C@@H](CCOc1ccccc1)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C19H31BN2O5.ClH/c1-18(2)19(3,4)27-20(26-18)16(22-17(23)15(21)13-24-5)11-12-25-14-9-7-6-8-10-14;/h6-10,15-16H,11-13,21H2,1-5H3,(H,22,23);1H/t15-,16+;/m1./s1
InChIKeyIJQYJVJAIFTDKW-RCPFAERMSA-N
MW414.74 g/mol
LogP1.97
Rot. Bonds9

About (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride

(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride (PubChem CID 168920099) has the molecular formula C19H32BClN2O5 and a molecular weight of 414.74 g/mol. Its IUPAC name is (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride
PubChem CID168920099
Molecular FormulaC19H32BClN2O5
Molecular Weight414.74 g/mol
Exact Mass414.21
IUPAC Name(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)N[C@@H](CCOc1ccccc1)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C19H31BN2O5.ClH/c1-18(2)19(3,4)27-20(26-18)16(22-17(23)15(21)13-24-5)11-12-25-14-9-7-6-8-10-14;/h6-10,15-16H,11-13,21H2,1-5H3,(H,22,23);1H/t15-,16+;/m1./s1
InChIKeyIJQYJVJAIFTDKW-RCPFAERMSA-N
XLogP1.97
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174051436
[(2R)-3-methoxy-1-oxo-1-[[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]propan-2-yl]carbamic acid
CID 174049843
2-amino-N-[(1R)-3-(4-chloro-3-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174052182
(2R)-2-amino-N-[(1S)-3-(4-chloro-2-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 168920120
N-[(2R)-3-methoxy-1-oxo-1-[[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]propan-2-yl]pyridine-3-carboxamide
CID 168920141
3-[(2R)-3-methoxy-1-oxo-1-[[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]propan-2-yl]-6-methylpyridine-2-carboxamide
CID 177297152
N-[3-methoxy-1-oxo-1-[[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]propan-2-yl]-5-methylpyridine-3-carboxamide
CID 174051478
(2R)-2-amino-N-[(1R)-4-(4-chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-3-methoxypropanamide
CID 168920134
(2R)-2-amino-3-phenylmethoxy-N-[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]propanamide;hydrochloride
CID 168920260
(2R)-2-amino-N-[(1R)-4-(3-chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-3-methoxypropanamide
CID 168920131
N-[(2R)-3-methoxy-1-oxo-1-[[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]propan-2-yl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 168920163
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride (CID 168920099) is (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride is COC[C@@H](N)C(=O)N[C@@H](CCOc1ccccc1)B1OC(C)(C)C(C)(C)O1.Cl.
What is the InChIKey of (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride?
The InChIKey is IJQYJVJAIFTDKW-RCPFAERMSA-N. The full InChI is InChI=1S/C19H31BN2O5.ClH/c1-18(2)19(3,4)27-20(26-18)16(22-17(23)15(21)13-24-5)11-12-25-14-9-7-6-8-10-14;/h6-10,15-16H,11-13,21H2,1-5H3,(H,22,23);1H/t15-,16+;/m1./s1.
What are the key properties of (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride?
(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride has a molecular weight of 414.74 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 168920099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).