6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid

C12H27N3O5 — CID 174469022

IUPAC6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)C(C)C.NCCCCC(NO)C(=O)O
InChIInChI=1S/C6H14N2O3.C6H13NO2/c7-4-2-1-3-5(8-11)6(9)10;1-4(2)5(7-3)6(8)9/h5,8,11H,1-4,7H2,(H,9,10);4-5,7H,1-3H3,(H,8,9)
InChIKeyXRBUSFRAYUFELS-UHFFFAOYSA-N
MW293.36 g/mol
LogP-0.14
Rot. Bonds9

About 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid

6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid (PubChem CID 174469022) has the molecular formula C12H27N3O5 and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid
PubChem CID174469022
Molecular FormulaC12H27N3O5
Molecular Weight293.36 g/mol
Exact Mass293.20
IUPAC Name6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)C(C)C.NCCCCC(NO)C(=O)O
InChIInChI=1S/C6H14N2O3.C6H13NO2/c7-4-2-1-3-5(8-11)6(9)10;1-4(2)5(7-3)6(8)9/h5,8,11H,1-4,7H2,(H,9,10);4-5,7H,1-3H3,(H,8,9)
InChIKeyXRBUSFRAYUFELS-UHFFFAOYSA-N
XLogP-0.14
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 122211018
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid (CID 174469022) is 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid is CNC(C(=O)O)C(C)C.NCCCCC(NO)C(=O)O.
What is the InChIKey of 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid?
The InChIKey is XRBUSFRAYUFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C6H13NO2/c7-4-2-1-3-5(8-11)6(9)10;1-4(2)5(7-3)6(8)9/h5,8,11H,1-4,7H2,(H,9,10);4-5,7H,1-3H3,(H,8,9).
What are the key properties of 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid?
6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid has a molecular weight of 293.36 g/mol, XLogP of -0.14, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 174469022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).