6-amino-2-propylhexanoic acid

C9H19NO2 — CID 2832747

IUPAC6-amino-2-propylhexanoic acid
SMILESCCCC(CCCCN)C(=O)O
InChIInChI=1S/C9H19NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyUGFGCJUZRJTFST-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.62
Rot. Bonds7

About 6-amino-2-propylhexanoic acid

6-amino-2-propylhexanoic acid (PubChem CID 2832747) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-amino-2-propylhexanoic acid.

Molecular Properties

Compound Name6-amino-2-propylhexanoic acid
PubChem CID2832747
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name6-amino-2-propylhexanoic acid
SMILESCCCC(CCCCN)C(=O)O
InChIInChI=1S/C9H19NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyUGFGCJUZRJTFST-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pregabalin
CID 5486971
3-(Aminomethyl)-5-methylhexanoic acid
CID 4715169
Imagabalin
CID 10236037
Pregabalin, (R)-
CID 125889
(2S,4S)-2-amino-4-methylhexanoic acid
CID 12612089
(3R,4R)-3-(aminomethyl)-4,5-dimethylhexanoic acid
CID 10197908
3-(Aminomethyl)-4-ethylhexanoic acid
CID 11195163
(3S)-3-[(1S)-1-aminoethyl]-5-methylhexanoic acid
CID 11367270
Hexanedioic acid, compd. with 2-methyl-1,5-pentanediamine (1:1)
CID 85470781
Imagabalin Hydrochloride
CID 11701275
beta-Methylnorleucine
CID 168760
(4-Carboxycyclohexyl)methylazanium
CID 444434

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propylhexanoic acid?
The IUPAC name of 6-amino-2-propylhexanoic acid (CID 2832747) is 6-amino-2-propylhexanoic acid.
What is the SMILES notation for 6-amino-2-propylhexanoic acid?
The canonical SMILES for 6-amino-2-propylhexanoic acid is CCCC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-propylhexanoic acid?
The InChIKey is UGFGCJUZRJTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of 6-amino-2-propylhexanoic acid?
6-amino-2-propylhexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propylhexanoic acid is sourced from PubChem (CID 2832747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).