(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid

C11H20N2O5 — CID 114006779

IUPAC(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
SMILESCCNCCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12-7-6-9(14)13-8(11(17)18)4-3-5-10(15)16/h8,12H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyZDAPBKQACXLGLS-MRVPVSSYSA-N
MW260.29 g/mol
LogP-0.19
Rot. Bonds10

About (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid

(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid (PubChem CID 114006779) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
PubChem CID114006779
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
SMILESCCNCCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12-7-6-9(14)13-8(11(17)18)4-3-5-10(15)16/h8,12H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyZDAPBKQACXLGLS-MRVPVSSYSA-N
XLogP-0.19
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213
(2R)-2-[3-(tert-butylamino)propanoylamino]hexanedioic acid
CID 107835658
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
2-[3-(ethylamino)propanoylamino]-4-methylsulfonylbutanoic acid
CID 55121147
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
2-(ethylamino)hexanedioic acid
CID 88869975
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid?
The IUPAC name of (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid (CID 114006779) is (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid?
The canonical SMILES for (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid is CCNCCC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid?
The InChIKey is ZDAPBKQACXLGLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-12-7-6-9(14)13-8(11(17)18)4-3-5-10(15)16/h8,12H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid?
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid has a molecular weight of 260.29 g/mol, XLogP of -0.19, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid is sourced from PubChem (CID 114006779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).