2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid

C11H20N2O5 — CID 107144810

IUPAC2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
SMILESCCCC[C@H](N)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7(12)10(16)13-8(11(17)18)5-6-9(14)15/h7-8H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8?/m0/s1
InChIKeyWFISPPKHDUCTCC-JAMMHHFISA-N
MW260.29 g/mol
LogP-0.06
Rot. Bonds9

About 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid

2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid (PubChem CID 107144810) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
PubChem CID107144810
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
SMILESCCCC[C@H](N)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7(12)10(16)13-8(11(17)18)5-6-9(14)15/h7-8H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8?/m0/s1
InChIKeyWFISPPKHDUCTCC-JAMMHHFISA-N
XLogP-0.06
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 175745494
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 175827737
2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87874231
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 177464935
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2S)-2-(2-methylheptanoylamino)pentanedioic acid
CID 90258188
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
2-amino-6-[[4-carboxy-2-(tetradecanoylamino)butanoyl]amino]heptanedioic acid
CID 11998372

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid (CID 107144810) is 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid is CCCC[C@H](N)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid?
The InChIKey is WFISPPKHDUCTCC-JAMMHHFISA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-3-4-7(12)10(16)13-8(11(17)18)5-6-9(14)15/h7-8H,2-6,12H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid?
2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of -0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid is sourced from PubChem (CID 107144810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).