(2S)-6-amino-2-(butanoylamino)hexanoic acid

C10H20N2O3 — CID 18608203

IUPAC(2S)-6-amino-2-(butanoylamino)hexanoic acid
SMILESCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyVAWJDJJVJBQDHP-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds8

About (2S)-6-amino-2-(butanoylamino)hexanoic acid

(2S)-6-amino-2-(butanoylamino)hexanoic acid (PubChem CID 18608203) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-6-amino-2-(butanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(butanoylamino)hexanoic acid
PubChem CID18608203
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-6-amino-2-(butanoylamino)hexanoic acid
SMILESCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyVAWJDJJVJBQDHP-QMMMGPOBSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(butanoylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(butanoylamino)hexanoic acid (CID 18608203) is (2S)-6-amino-2-(butanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(butanoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(butanoylamino)hexanoic acid is CCCC(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(butanoylamino)hexanoic acid?
The InChIKey is VAWJDJJVJBQDHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(butanoylamino)hexanoic acid?
(2S)-6-amino-2-(butanoylamino)hexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(butanoylamino)hexanoic acid is sourced from PubChem (CID 18608203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).