2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C10H18N2O6 — CID 82786420

IUPAC2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)COCCN)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-17-9(14)3-2-7(10(15)16)12-8(13)6-18-5-4-11/h7H,2-6,11H2,1H3,(H,12,13)(H,15,16)
InChIKeyLIANMAZDCANAMI-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.52
Rot. Bonds9

About 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid

2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82786420) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82786420
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)COCCN)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-17-9(14)3-2-7(10(15)16)12-8(13)6-18-5-4-11/h7H,2-6,11H2,1H3,(H,12,13)(H,15,16)
InChIKeyLIANMAZDCANAMI-UHFFFAOYSA-N
XLogP-1.52
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-aminoethoxy)acetyl]amino]pentanedioic acid
CID 79473877
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824435
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 82786420) is 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)COCCN)C(=O)O.
What is the InChIKey of 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is LIANMAZDCANAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-17-9(14)3-2-7(10(15)16)12-8(13)6-18-5-4-11/h7H,2-6,11H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 262.26 g/mol, XLogP of -1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).