(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid

C12H26N2O2 — CID 20729254

IUPAC(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid
SMILESCCN(CC)[C@@](CC)(CCCCN)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-4-12(11(15)16,9-7-8-10-13)14(5-2)6-3/h4-10,13H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyFOHOLNFJMOKCBU-LBPRGKRZSA-N
MW230.35 g/mol
LogP1.69
Rot. Bonds9

About (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid

(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid (PubChem CID 20729254) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid
PubChem CID20729254
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid
SMILESCCN(CC)[C@@](CC)(CCCCN)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-4-12(11(15)16,9-7-8-10-13)14(5-2)6-3/h4-10,13H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyFOHOLNFJMOKCBU-LBPRGKRZSA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
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-(diethylamino)-2-ethylhexanoic acid?
The IUPAC name of (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid (CID 20729254) is (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid is CCN(CC)[C@@](CC)(CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid?
The InChIKey is FOHOLNFJMOKCBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-12(11(15)16,9-7-8-10-13)14(5-2)6-3/h4-10,13H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid?
(2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(diethylamino)-2-ethylhexanoic acid is sourced from PubChem (CID 20729254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).