6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid

C11H22N2O3 — CID 103868717

IUPAC6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-6-9(12)11(16)13-8-5-3-4-7-10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyFGLHSZDTQVPJQT-SECBINFHSA-N
MW230.31 g/mol
LogP0.88
Rot. Bonds9

About 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid

6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid (PubChem CID 103868717) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
PubChem CID103868717
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-6-9(12)11(16)13-8-5-3-4-7-10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyFGLHSZDTQVPJQT-SECBINFHSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
12-[[2-amino-3-[[2-amino-3-(dodecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 129089614
(2R)-2-amino-N-butylpentanamide
CID 82668431
5-(2,5-diaminopentanoylamino)pentanoic acid;dichloroplatinum
CID 144749170
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid (CID 103868717) is 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid is CCC[C@@H](N)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The InChIKey is FGLHSZDTQVPJQT-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-6-9(12)11(16)13-8-5-3-4-7-10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid is sourced from PubChem (CID 103868717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).