(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid

C11H20N2O5 — CID 114005141

IUPAC(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCNCCC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-12-7-6-9(14)13-8(11(16)17)4-5-10(15)18-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyYUZQQFLRFBLCDO-MRVPVSSYSA-N
MW260.29 g/mol
LogP-0.49
Rot. Bonds9

About (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 114005141) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID114005141
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCCNCCC(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-12-7-6-9(14)13-8(11(16)17)4-5-10(15)18-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyYUZQQFLRFBLCDO-MRVPVSSYSA-N
XLogP-0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.49
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

(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213
2-[3-(ethylamino)propanoylamino]-4-methylsulfonylbutanoic acid
CID 55121147
(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-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
2-[3-(ethylamino)butanoylamino]-5-methoxy-5-oxopentanoic acid
CID 82786423
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid (CID 114005141) is (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid is CCNCCC(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is YUZQQFLRFBLCDO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-12-7-6-9(14)13-8(11(16)17)4-5-10(15)18-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114005141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).