(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide

C11H21N3O4 — CID 154721504

IUPAC(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide
SMILESCC(=O)NCC(=O)N[C@H](C)C(=O)N(O)C(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-7(10(17)14(18)11(3,4)5)13-9(16)6-12-8(2)15/h7,18H,6H2,1-5H3,(H,12,15)(H,13,16)/t7-/m1/s1
InChIKeyYSJUXVWGVHGXQD-SSDOTTSWSA-N
MW259.31 g/mol
LogP-0.36
Rot. Bonds4

About (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide

(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide (PubChem CID 154721504) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide
PubChem CID154721504
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide
SMILESCC(=O)NCC(=O)N[C@H](C)C(=O)N(O)C(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-7(10(17)14(18)11(3,4)5)13-9(16)6-12-8(2)15/h7,18H,6H2,1-5H3,(H,12,15)(H,13,16)/t7-/m1/s1
InChIKeyYSJUXVWGVHGXQD-SSDOTTSWSA-N
XLogP-0.36
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
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-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide (CID 154721504) is (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide is CC(=O)NCC(=O)N[C@H](C)C(=O)N(O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide?
The InChIKey is YSJUXVWGVHGXQD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(10(17)14(18)11(3,4)5)13-9(16)6-12-8(2)15/h7,18H,6H2,1-5H3,(H,12,15)(H,13,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide?
(2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide has a molecular weight of 259.31 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-acetamidoacetyl)amino]-N-tert-butyl-N-hydroxypropanamide is sourced from PubChem (CID 154721504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).