(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid

C16H21NO5 — CID 68631273

IUPAC(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COC[C@H]1CCCCOCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15-12-22-11-14(17(15)16(19)20)8-4-5-9-21-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/t14-/m1/s1
InChIKeyQLCRXQDZLDKRGX-CQSZACIVSA-N
MW307.35 g/mol
LogP2.28
Rot. Bonds7

About (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid

(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid (PubChem CID 68631273) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
PubChem CID68631273
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COC[C@H]1CCCCOCc1ccccc1
InChIInChI=1S/C16H21NO5/c18-15-12-22-11-14(17(15)16(19)20)8-4-5-9-21-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/t14-/m1/s1
InChIKeyQLCRXQDZLDKRGX-CQSZACIVSA-N
XLogP2.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 69005272
tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 67373012
(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
CID 101081018
(3aR,4S,5S,6aS)-4-hydroxy-5-(5-phenylmethoxypentyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22858624
(5S,6S,7S,7aS)-6,7-dihydroxy-5-(6-phenylmethoxyhexyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 67174968
4-(phenylmethoxymethyl)oxathiazolidine-3-carboxylic acid
CID 135371846
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
acetic acid;butoxymethylbenzene
CID 139463153
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128

Frequently Asked Questions

What is the IUPAC name of (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid?
The IUPAC name of (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid (CID 68631273) is (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid?
The canonical SMILES for (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid is O=C(O)N1C(=O)COC[C@H]1CCCCOCc1ccccc1.
What is the InChIKey of (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid?
The InChIKey is QLCRXQDZLDKRGX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO5/c18-15-12-22-11-14(17(15)16(19)20)8-4-5-9-21-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid?
(5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-oxo-5-(4-phenylmethoxybutyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 68631273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).