N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide

C13H19N3O3 — CID 20646768

IUPACN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
SMILESNCCCC[C@@H](NC(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C13H19N3O3/c14-9-5-4-8-11(13(18)16-19)15-12(17)10-6-2-1-3-7-10/h1-3,6-7,11,19H,4-5,8-9,14H2,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyZDLKWQXMAOYEHW-LLVKDONJSA-N
MW265.31 g/mol
LogP0.42
Rot. Bonds7

About N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide

N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide (PubChem CID 20646768) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
PubChem CID20646768
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
SMILESNCCCC[C@@H](NC(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C13H19N3O3/c14-9-5-4-8-11(13(18)16-19)15-12(17)10-6-2-1-3-7-10/h1-3,6-7,11,19H,4-5,8-9,14H2,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyZDLKWQXMAOYEHW-LLVKDONJSA-N
XLogP0.42
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[[(2S)-6-amino-2-benzamidohexanoyl]amino]-3-methylsulfanylpropyl]boronic acid
CID 74765812
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
CID 118411664
(2R)-6-amino-2-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 22873096
2-[[6-amino-2-[(2-benzamidoacetyl)amino]hexanoyl]amino]-3-methylbutanoic acid
CID 78480818
N-(12-aminododecyl)-2-benzamidobutanediamide
CID 502144
2-[(5-amino-1-carboxypentyl)carbamoyl]benzoic acid
CID 10469684
N-[(2S)-1-[[(2S)-6-amino-1-[[(1S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide
CID 127039494
(2S)-6-amino-2-[(4-sulfamoylbenzoyl)amino]hexanoic acid
CID 175082787
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]benzamide
CID 11974734

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide?
The IUPAC name of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide (CID 20646768) is N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide is NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)NO.
What is the InChIKey of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide?
The InChIKey is ZDLKWQXMAOYEHW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-9-5-4-8-11(13(18)16-19)15-12(17)10-6-2-1-3-7-10/h1-3,6-7,11,19H,4-5,8-9,14H2,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide?
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide is sourced from PubChem (CID 20646768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).