2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid

C13H15NO5 — CID 177425598

IUPAC2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid
SMILESO=C(O)CC1CCN(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C13H15NO5/c15-12(16)8-11-6-7-14(19-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyIBLLDRNMAHMNIB-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid

2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid (PubChem CID 177425598) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid
PubChem CID177425598
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid
SMILESO=C(O)CC1CCN(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C13H15NO5/c15-12(16)8-11-6-7-14(19-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyIBLLDRNMAHMNIB-UHFFFAOYSA-N
XLogP1.80
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate
CID 72945655
2-O-benzyl 5-O-tert-butyl 7-(methoxymethyl)-1,2,5-oxadiazepane-2,5-dicarboxylate
CID 134279330
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 125455789
dibenzyl 5,6-dihydroxy-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 154704878
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-[1-phenylmethoxycarbonyl-2-(trifluoromethyl)piperidin-4-yl]acetic acid
CID 155895049
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
2-[(2S,3S)-1-phenylmethoxycarbonyl-2-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458158
2-[(2R,3S)-1-phenylmethoxycarbonyl-2-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458157
benzyl (3R)-3-ethyldiazepane-1-carboxylate
CID 132551797

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid (CID 177425598) is 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid is O=C(O)CC1CCN(C(=O)OCc2ccccc2)O1.
What is the InChIKey of 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid?
The InChIKey is IBLLDRNMAHMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)8-11-6-7-14(19-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid?
2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid is sourced from PubChem (CID 177425598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).