benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate

C19H28N2O5 — CID 91156388

IUPACbenzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c20-16(11-14-7-3-1-4-8-14)18(23)19(24)21-26-13-17(22)25-12-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,18,23H,1,3-4,7-8,11-13,20H2,(H,21,24)/t16-,18?/m1/s1
InChIKeyVIPHHZOWSXOGDD-PYUWXLGESA-N
MW364.44 g/mol
LogP1.44
Rot. Bonds9

About benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate

benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate (PubChem CID 91156388) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate.

Molecular Properties

Compound Namebenzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
PubChem CID91156388
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namebenzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c20-16(11-14-7-3-1-4-8-14)18(23)19(24)21-26-13-17(22)25-12-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,18,23H,1,3-4,7-8,11-13,20H2,(H,21,24)/t16-,18?/m1/s1
InChIKeyVIPHHZOWSXOGDD-PYUWXLGESA-N
XLogP1.44
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
CID 87998409
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
CID 10671348
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate?
The IUPAC name of benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate (CID 91156388) is benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate.
What is the SMILES notation for benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate?
The canonical SMILES for benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate is N[C@H](CC1CCCCC1)C(O)C(=O)NOCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate?
The InChIKey is VIPHHZOWSXOGDD-PYUWXLGESA-N. The full InChI is InChI=1S/C19H28N2O5/c20-16(11-14-7-3-1-4-8-14)18(23)19(24)21-26-13-17(22)25-12-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,18,23H,1,3-4,7-8,11-13,20H2,(H,21,24)/t16-,18?/m1/s1.
What are the key properties of benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate?
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate has a molecular weight of 364.44 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate is sourced from PubChem (CID 91156388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).