(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid

C13H22N2O6 — CID 107826352

IUPAC(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-15(9-5-7-21-8-6-9)13(19)14-10(12(17)18)3-4-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeySDNTVERQJNEYBS-SNVBAGLBSA-N
MW302.33 g/mol
LogP0.21
Rot. Bonds6

About (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107826352) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107826352
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-15(9-5-7-21-8-6-9)13(19)14-10(12(17)18)3-4-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeySDNTVERQJNEYBS-SNVBAGLBSA-N
XLogP0.21
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2R)-5-amino-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830602
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
2-[[methyl(oxolan-3-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 82742681
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 62479901
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828637
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 107826352) is (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)N(C)C1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is SDNTVERQJNEYBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-15(9-5-7-21-8-6-9)13(19)14-10(12(17)18)3-4-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107826352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).