(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid

C4H8NO5- — CID 163150230

IUPAC(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid
SMILESC[C@@H](CC(=O)O)ON([O-])O
InChIInChI=1S/C4H8NO5/c1-3(2-4(6)7)10-5(8)9/h3,8H,2H2,1H3,(H,6,7)/q-1/t3-/m0/s1
InChIKeyZIKXCNUXRLELKV-VKHMYHEASA-N
MW150.11 g/mol
LogP-0.03
Rot. Bonds4

About (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid

(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid (PubChem CID 163150230) has the molecular formula C4H8NO5- and a molecular weight of 150.11 g/mol. Its IUPAC name is (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid
PubChem CID163150230
Molecular FormulaC4H8NO5-
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid
SMILESC[C@@H](CC(=O)O)ON([O-])O
InChIInChI=1S/C4H8NO5/c1-3(2-4(6)7)10-5(8)9/h3,8H,2H2,1H3,(H,6,7)/q-1/t3-/m0/s1
InChIKeyZIKXCNUXRLELKV-VKHMYHEASA-N
XLogP-0.03
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxybutanoic acid
CID 51374275
3-trimethylsilyloxybutanoic acid
CID 11008465
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
3-methylbutanoic acid
CID 20849036
3-ethoxybutanoic acid
CID 20508399
3-(dibenzylamino)oxybutanoic acid
CID 57058086
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
3-(2-oxoethenoxy)butanoic acid
CID 173327753
3-carbonofluoridoyloxybutanoic acid
CID 130374957
hydrazine;3-methylbutanoic acid
CID 175217584
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid?
The IUPAC name of (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid (CID 163150230) is (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid.
What is the SMILES notation for (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid?
The canonical SMILES for (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid is C[C@@H](CC(=O)O)ON([O-])O.
What is the InChIKey of (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid?
The InChIKey is ZIKXCNUXRLELKV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8NO5/c1-3(2-4(6)7)10-5(8)9/h3,8H,2H2,1H3,(H,6,7)/q-1/t3-/m0/s1.
What are the key properties of (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid?
(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid has a molecular weight of 150.11 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[hydroxy(oxido)amino]oxybutanoic acid is sourced from PubChem (CID 163150230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).