(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid

C16H22N2O5 — CID 163886998

IUPAC(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid
SMILESO=C(ON[C@@H](CCCN1CCOCC1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O5/c19-15(20)14(7-4-8-18-9-11-22-12-10-18)17-23-16(21)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,19,20)/t14-/m0/s1
InChIKeyPYFSTTTYUSABHQ-AWEZNQCLSA-N
MW322.36 g/mol
LogP0.91
Rot. Bonds8

About (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid

(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid (PubChem CID 163886998) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid
PubChem CID163886998
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid
SMILESO=C(ON[C@@H](CCCN1CCOCC1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O5/c19-15(20)14(7-4-8-18-9-11-22-12-10-18)17-23-16(21)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,19,20)/t14-/m0/s1
InChIKeyPYFSTTTYUSABHQ-AWEZNQCLSA-N
XLogP0.91
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic 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

2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-morpholin-4-ylhexanoic acid
CID 146584722
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
(2R)-5-morpholin-4-yl-2-(2-oxo-2-phenylmethoxyethyl)pentanoic acid
CID 147392952
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate
CID 130241138
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid?
The IUPAC name of (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid (CID 163886998) is (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid.
What is the SMILES notation for (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid?
The canonical SMILES for (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid is O=C(ON[C@@H](CCCN1CCOCC1)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid?
The InChIKey is PYFSTTTYUSABHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-15(20)14(7-4-8-18-9-11-22-12-10-18)17-23-16(21)13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid?
(2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid has a molecular weight of 322.36 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzoyloxyamino)-5-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 163886998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).