2-amino-6-(2-propylpentanoylamino)hexanoic acid

C14H28N2O3 — CID 164728968

IUPAC2-amino-6-(2-propylpentanoylamino)hexanoic acid
SMILESCCCC(CCC)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-7-11(8-4-2)13(17)16-10-6-5-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCAMKAGQUFZFAKT-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.90
Rot. Bonds11

About 2-amino-6-(2-propylpentanoylamino)hexanoic acid

2-amino-6-(2-propylpentanoylamino)hexanoic acid (PubChem CID 164728968) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-6-(2-propylpentanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-propylpentanoylamino)hexanoic acid
PubChem CID164728968
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-6-(2-propylpentanoylamino)hexanoic acid
SMILESCCCC(CCC)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-7-11(8-4-2)13(17)16-10-6-5-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCAMKAGQUFZFAKT-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.90
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

(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198
(2S)-2-amino-6-(2-octanoyldodecanoylamino)hexanoic acid
CID 146471914

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-propylpentanoylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(2-propylpentanoylamino)hexanoic acid (CID 164728968) is 2-amino-6-(2-propylpentanoylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-propylpentanoylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-propylpentanoylamino)hexanoic acid is CCCC(CCC)C(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-propylpentanoylamino)hexanoic acid?
The InChIKey is CAMKAGQUFZFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-7-11(8-4-2)13(17)16-10-6-5-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-amino-6-(2-propylpentanoylamino)hexanoic acid?
2-amino-6-(2-propylpentanoylamino)hexanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.90, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-propylpentanoylamino)hexanoic acid is sourced from PubChem (CID 164728968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).