(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid

C9H19N3O3 — CID 7016106

IUPAC(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyQXRNAOYBCYVZCD-BQBZGAKWSA-N
MW217.27 g/mol
LogP-0.97
Rot. Bonds7

About (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid (PubChem CID 7016106) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid
PubChem CID7016106
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyQXRNAOYBCYVZCD-BQBZGAKWSA-N
XLogP-0.97
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.97
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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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid (CID 7016106) is (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid is C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid?
The InChIKey is QXRNAOYBCYVZCD-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid is sourced from PubChem (CID 7016106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).