6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid

C12H27N3O6 — CID 135340868

IUPAC6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
SMILESCCCCC(N)C(=O)O.NCCCCC(C(=O)O)N(O)O
InChIInChI=1S/C6H14N2O4.C6H13NO2/c7-4-2-1-3-5(6(9)10)8(11)12;1-2-3-4-5(7)6(8)9/h5,11-12H,1-4,7H2,(H,9,10);5H,2-4,7H2,1H3,(H,8,9)
InChIKeyLADRKNZAYANYMJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.24
Rot. Bonds10

About 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid

6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid (PubChem CID 135340868) has the molecular formula C12H27N3O6 and a molecular weight of 309.36 g/mol. Its IUPAC name is 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid.

Molecular Properties

Compound Name6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
PubChem CID135340868
Molecular FormulaC12H27N3O6
Molecular Weight309.36 g/mol
Exact Mass309.19
IUPAC Name6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
SMILESCCCCC(N)C(=O)O.NCCCCC(C(=O)O)N(O)O
InChIInChI=1S/C6H14N2O4.C6H13NO2/c7-4-2-1-3-5(6(9)10)8(11)12;1-2-3-4-5(7)6(8)9/h5,11-12H,1-4,7H2,(H,9,10);5H,2-4,7H2,1H3,(H,8,9)
InChIKeyLADRKNZAYANYMJ-UHFFFAOYSA-N
XLogP0.24
TPSA170.34 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 50.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
1-chloropentane;(2S)-2,6-diaminohexanoic acid
CID 174996013
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-2,6-diaminohexanoic acid;tetrabutylazanium
CID 87083291
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid?
The IUPAC name of 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid (CID 135340868) is 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid.
What is the SMILES notation for 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid?
The canonical SMILES for 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid is CCCCC(N)C(=O)O.NCCCCC(C(=O)O)N(O)O.
What is the InChIKey of 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid?
The InChIKey is LADRKNZAYANYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4.C6H13NO2/c7-4-2-1-3-5(6(9)10)8(11)12;1-2-3-4-5(7)6(8)9/h5,11-12H,1-4,7H2,(H,9,10);5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid?
6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid has a molecular weight of 309.36 g/mol, XLogP of 0.24, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid is sourced from PubChem (CID 135340868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).