(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid

C10H18N2O6 — CID 107825526

IUPAC(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-17-6-5-11-10(16)12-7(9(14)15)3-4-8(13)18-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m1/s1
InChIKeyTWRKYGAZZBKEHC-SSDOTTSWSA-N
MW262.26 g/mol
LogP-0.66
Rot. Bonds8

About (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107825526) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107825526
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-17-6-5-11-10(16)12-7(9(14)15)3-4-8(13)18-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m1/s1
InChIKeyTWRKYGAZZBKEHC-SSDOTTSWSA-N
XLogP-0.66
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114005434
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829264
(2S)-5-methoxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829317
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid (CID 107825526) is (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid is COCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is TWRKYGAZZBKEHC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-17-6-5-11-10(16)12-7(9(14)15)3-4-8(13)18-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107825526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).