(2R)-2-(5-aminohexanoylamino)hexanedioic acid

C12H22N2O5 — CID 107835557

IUPAC(2R)-2-(5-aminohexanoylamino)hexanedioic acid
SMILESCC(N)CCCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(13)4-2-6-10(15)14-9(12(18)19)5-3-7-11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m1/s1
InChIKeyKRIDIAPBRRTOOR-YGPZHTELSA-N
MW274.32 g/mol
LogP0.33
Rot. Bonds10

About (2R)-2-(5-aminohexanoylamino)hexanedioic acid

(2R)-2-(5-aminohexanoylamino)hexanedioic acid (PubChem CID 107835557) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-(5-aminohexanoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(5-aminohexanoylamino)hexanedioic acid
PubChem CID107835557
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-(5-aminohexanoylamino)hexanedioic acid
SMILESCC(N)CCCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(13)4-2-6-10(15)14-9(12(18)19)5-3-7-11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m1/s1
InChIKeyKRIDIAPBRRTOOR-YGPZHTELSA-N
XLogP0.33
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
18-[[4-[[(5R)-5-aminohexyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 162681415
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
2-(5-aminohexanoylamino)pent-4-ynoic acid
CID 82853867
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946725
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-aminohexanoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(5-aminohexanoylamino)hexanedioic acid (CID 107835557) is (2R)-2-(5-aminohexanoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(5-aminohexanoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(5-aminohexanoylamino)hexanedioic acid is CC(N)CCCC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(5-aminohexanoylamino)hexanedioic acid?
The InChIKey is KRIDIAPBRRTOOR-YGPZHTELSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(13)4-2-6-10(15)14-9(12(18)19)5-3-7-11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-(5-aminohexanoylamino)hexanedioic acid?
(2R)-2-(5-aminohexanoylamino)hexanedioic acid has a molecular weight of 274.32 g/mol, XLogP of 0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-aminohexanoylamino)hexanedioic acid is sourced from PubChem (CID 107835557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).