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

C11H20N2O6 — CID 114005434

IUPAC(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCCOCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-19-7-6-12-11(17)13-8(10(15)16)4-5-9(14)18-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyJIUJUQVWCHVZPI-MRVPVSSYSA-N
MW276.29 g/mol
LogP-0.27
Rot. Bonds9

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

(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 114005434) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID114005434
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCCOCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-19-7-6-12-11(17)13-8(10(15)16)4-5-9(14)18-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyJIUJUQVWCHVZPI-MRVPVSSYSA-N
XLogP-0.27
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.27
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-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-5-methoxy-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829264
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
(2S)-5-methoxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829317
(2R)-2-(2-but-3-enoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 106404798
(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)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid (CID 114005434) is (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid is CCOCCNC(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is JIUJUQVWCHVZPI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-19-7-6-12-11(17)13-8(10(15)16)4-5-9(14)18-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid?
(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114005434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).