(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide

C6H14BrN3O3 — CID 90678150

IUPAC(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide
SMILESBr.CC(NC(=O)[C@@H](C)N)C(=O)NO
InChIInChI=1S/C6H13N3O3.BrH/c1-3(7)5(10)8-4(2)6(11)9-12;/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11);1H/t3-,4?;/m1./s1
InChIKeyWERQCEPIPWOIKV-XPTOHWELSA-N
MW256.10 g/mol
LogP-1.08
Rot. Bonds3

About (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide

(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide (PubChem CID 90678150) has the molecular formula C6H14BrN3O3 and a molecular weight of 256.10 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide
PubChem CID90678150
Molecular FormulaC6H14BrN3O3
Molecular Weight256.10 g/mol
Exact Mass255.02
IUPAC Name(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide
SMILESBr.CC(NC(=O)[C@@H](C)N)C(=O)NO
InChIInChI=1S/C6H13N3O3.BrH/c1-3(7)5(10)8-4(2)6(11)9-12;/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11);1H/t3-,4?;/m1./s1
InChIKeyWERQCEPIPWOIKV-XPTOHWELSA-N
XLogP-1.08
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide?
The IUPAC name of (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide (CID 90678150) is (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide.
What is the SMILES notation for (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide?
The canonical SMILES for (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide is Br.CC(NC(=O)[C@@H](C)N)C(=O)NO.
What is the InChIKey of (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide?
The InChIKey is WERQCEPIPWOIKV-XPTOHWELSA-N. The full InChI is InChI=1S/C6H13N3O3.BrH/c1-3(7)5(10)8-4(2)6(11)9-12;/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11);1H/t3-,4?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide?
(2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(hydroxyamino)-1-oxopropan-2-yl]propanamide;hydrobromide is sourced from PubChem (CID 90678150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).