5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid

C16H19NO6 — CID 139786436

IUPAC5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO6/c18-14(19)9-5-4-8-13-15(20)23-11-17(13)16(21)22-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)/t13-/m1/s1
InChIKeySHNFHXXTISOWTG-CYBMUJFWSA-N
MW321.33 g/mol
LogP2.15
Rot. Bonds7

About 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid

5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid (PubChem CID 139786436) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
PubChem CID139786436
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO6/c18-14(19)9-5-4-8-13-15(20)23-11-17(13)16(21)22-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)/t13-/m1/s1
InChIKeySHNFHXXTISOWTG-CYBMUJFWSA-N
XLogP2.15
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
benzyl (4S)-4-[5-(1,3-dioxolan-2-yl)-3-oxopentyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15669878
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67742203
5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
CID 57109367
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 14596285
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid?
The IUPAC name of 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid (CID 139786436) is 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid.
What is the SMILES notation for 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid?
The canonical SMILES for 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid is O=C(O)CCCC[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid?
The InChIKey is SHNFHXXTISOWTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO6/c18-14(19)9-5-4-8-13-15(20)23-11-17(13)16(21)22-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid?
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid has a molecular weight of 321.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid is sourced from PubChem (CID 139786436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).