(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid

C14H17NO5 — CID 107862091

IUPAC(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H17NO5/c16-8-10(9-4-2-1-3-5-9)15-13(17)11-6-7-12(20-11)14(18)19/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10-,11-,12+/m0/s1
InChIKeyZYEVFHSYPSMYDE-SDDRHHMPSA-N
MW279.29 g/mol
LogP0.47
Rot. Bonds5

About (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 107862091) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID107862091
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H17NO5/c16-8-10(9-4-2-1-3-5-9)15-13(17)11-6-7-12(20-11)14(18)19/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10-,11-,12+/m0/s1
InChIKeyZYEVFHSYPSMYDE-SDDRHHMPSA-N
XLogP0.47
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-(2-amino-1-phenylethyl)-5-methyloxolane-2-carboxamide
CID 81327038
N-(2-hydroxy-1-phenylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 110001471
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid (CID 107862091) is (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid is O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZYEVFHSYPSMYDE-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H17NO5/c16-8-10(9-4-2-1-3-5-9)15-13(17)11-6-7-12(20-11)14(18)19/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10-,11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107862091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).