(2S)-2,6-diaminohexanoic acid

C6H14N2O2 — CID 5962

IUPAC(2S)-2,6-diaminohexanoic acid
SMILESNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid

(2S)-2,6-diaminohexanoic acid (PubChem CID 5962) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid
PubChem CID5962
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-2,6-diaminohexanoic acid
SMILESNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.47
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

L-(-)-Ornithine
CID 6262
6-Aminohexanoic Acid
CID 564
L-2-Aminoadipic Acid
CID 92136
Alpha-Aminoadipic Acid
CID 469
Caprine
CID 21236
Ornithine hydrochloride
CID 76654
L-Norvaline
CID 65098
Lysine, DL-
CID 866
D-Ornithine
CID 71082
L-Lysine monohydrochloride
CID 69568
2-Aminopimelic acid
CID 101122
L,L-Diaminopimelic acid
CID 439283

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid?
The IUPAC name of (2S)-2,6-diaminohexanoic acid (CID 5962) is (2S)-2,6-diaminohexanoic acid.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid is NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid?
The InChIKey is KDXKERNSBIXSRK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid?
(2S)-2,6-diaminohexanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 5962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).