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

C6H13N3O3 — CID 90678148

IUPAC(2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](C)C(=O)NO
InChIInChI=1S/C6H13N3O3/c1-3(7)5(10)8-4(2)6(11)9-12/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11)/t3-,4-/m1/s1
InChIKeyJBNWGLZBVIYQHX-QWWZWVQMSA-N
MW175.19 g/mol
LogP-1.66
Rot. Bonds3

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

(2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide (PubChem CID 90678148) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide
PubChem CID90678148
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](C)C(=O)NO
InChIInChI=1S/C6H13N3O3/c1-3(7)5(10)8-4(2)6(11)9-12/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11)/t3-,4-/m1/s1
InChIKeyJBNWGLZBVIYQHX-QWWZWVQMSA-N
XLogP-1.66
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.66
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-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide (CID 90678148) is (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide is C[C@@H](N)C(=O)N[C@H](C)C(=O)NO.
What is the InChIKey of (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is JBNWGLZBVIYQHX-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3(7)5(10)8-4(2)6(11)9-12/h3-4,12H,7H2,1-2H3,(H,8,10)(H,9,11)/t3-,4-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide?
(2R)-2-amino-N-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 175.19 g/mol, XLogP of -1.66, 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-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 90678148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).