[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid

C7H15N3O4 — CID 174400939

IUPAC[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid
SMILESNCCCC[C@H](NC(=O)O)C(=O)ON
InChIInChI=1S/C7H15N3O4/c8-4-2-1-3-5(6(11)14-9)10-7(12)13/h5,10H,1-4,8-9H2,(H,12,13)/t5-/m0/s1
InChIKeyXWHNNHWENUUQNN-YFKPBYRVSA-N
MW205.21 g/mol
LogP-0.83
Rot. Bonds6

About [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid

[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid (PubChem CID 174400939) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid
PubChem CID174400939
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid
SMILESNCCCC[C@H](NC(=O)O)C(=O)ON
InChIInChI=1S/C7H15N3O4/c8-4-2-1-3-5(6(11)14-9)10-7(12)13/h5,10H,1-4,8-9H2,(H,12,13)/t5-/m0/s1
InChIKeyXWHNNHWENUUQNN-YFKPBYRVSA-N
XLogP-0.83
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic 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

[(2S)-6-amino-1-[(2S)-6-amino-2-(carboxyamino)hexanoyl]oxy-1-oxohexan-2-yl]carbamic acid
CID 57143995
amino 2-acetamido-6-aminohexanoate
CID 89268103
amino (2R)-5-amino-2-formamidopentanoate
CID 174668707
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
amino (2S)-2,6-diaminohexanoate
CID 18651785
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
methyl (2S)-6-amino-2-(dimethylcarbamoylamino)hexanoate
CID 56990852
carbamoyl (2S)-2-acetamido-6-aminohexanoate
CID 57200276
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid (CID 174400939) is [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid is NCCCC[C@H](NC(=O)O)C(=O)ON.
What is the InChIKey of [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid?
The InChIKey is XWHNNHWENUUQNN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N3O4/c8-4-2-1-3-5(6(11)14-9)10-7(12)13/h5,10H,1-4,8-9H2,(H,12,13)/t5-/m0/s1.
What are the key properties of [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid?
[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid has a molecular weight of 205.21 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 174400939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).