(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid

C11H19NO5 — CID 102945735

IUPAC(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)(CCO)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2,5-6-13)12-9(14)7-3-4-8(17-7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyBWOXWUHXPVJGLY-JGVFFNPUSA-N
MW245.27 g/mol
LogP-0.10
Rot. Bonds5

About (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945735) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945735
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)(CCO)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2,5-6-13)12-9(14)7-3-4-8(17-7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyBWOXWUHXPVJGLY-JGVFFNPUSA-N
XLogP-0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551222
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
(2R,5S)-5-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]oxolane-2-carboxylic acid
CID 106167993
cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901
(1S,6R)-6-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962747
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
CID 86789765

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102945735) is (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid is CC(C)(CCO)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BWOXWUHXPVJGLY-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,5-6-13)12-9(14)7-3-4-8(17-7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).