(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid

C13H21NO6 — CID 102944751

IUPAC(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCC(C)C(NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C(=O)OC
InChIInChI=1S/C13H21NO6/c1-4-7(2)10(13(18)19-3)14-11(15)8-5-6-9(20-8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7?,8-,9+,10?/m0/s1
InChIKeyUMFXNHWBFNXTRJ-APTHBXDWSA-N
MW287.31 g/mol
LogP0.32
Rot. Bonds6

About (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944751) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944751
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCC(C)C(NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C(=O)OC
InChIInChI=1S/C13H21NO6/c1-4-7(2)10(13(18)19-3)14-11(15)8-5-6-9(20-8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7?,8-,9+,10?/m0/s1
InChIKeyUMFXNHWBFNXTRJ-APTHBXDWSA-N
XLogP0.32
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945718
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102944751) is (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid is CCC(C)C(NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C(=O)OC.
What is the InChIKey of (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is UMFXNHWBFNXTRJ-APTHBXDWSA-N. The full InChI is InChI=1S/C13H21NO6/c1-4-7(2)10(13(18)19-3)14-11(15)8-5-6-9(20-8)12(16)17/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7?,8-,9+,10?/m0/s1.
What are the key properties of (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).