(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid

C14H15NO6 — CID 167986499

IUPAC(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C(NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1
InChIInChI=1S/C14H15NO6/c16-12(9-6-7-10(21-9)13(17)18)15-11(14(19)20)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10+,11?/m1/s1
InChIKeyHZXXFCJPIBVNBG-JKIOLJMWSA-N
MW293.27 g/mol
LogP0.56
Rot. Bonds5

About (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid

(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 167986499) has the molecular formula C14H15NO6 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID167986499
Molecular FormulaC14H15NO6
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C(NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1
InChIInChI=1S/C14H15NO6/c16-12(9-6-7-10(21-9)13(17)18)15-11(14(19)20)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10+,11?/m1/s1
InChIKeyHZXXFCJPIBVNBG-JKIOLJMWSA-N
XLogP0.56
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid (CID 167986499) is (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid is O=C(O)C(NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1.
What is the InChIKey of (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HZXXFCJPIBVNBG-JKIOLJMWSA-N. The full InChI is InChI=1S/C14H15NO6/c16-12(9-6-7-10(21-9)13(17)18)15-11(14(19)20)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10+,11?/m1/s1.
What are the key properties of (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid?
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 167986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).