(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate

C6H10NO4- — CID 20832911

IUPAC(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate
SMILESC[C@@H](N)C(=O)C(C)(O)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(7)4(8)6(2,11)5(9)10/h3,11H,7H2,1-2H3,(H,9,10)/p-1/t3-,6?/m1/s1
InChIKeyJRXAINQJOIWCEP-HODUVHNASA-M
MW160.15 g/mol
LogP-2.60
Rot. Bonds3

About (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate

(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate (PubChem CID 20832911) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Name(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate
PubChem CID20832911
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate
SMILESC[C@@H](N)C(=O)C(C)(O)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(7)4(8)6(2,11)5(9)10/h3,11H,7H2,1-2H3,(H,9,10)/p-1/t3-,6?/m1/s1
InChIKeyJRXAINQJOIWCEP-HODUVHNASA-M
XLogP-2.60
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The IUPAC name of (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate (CID 20832911) is (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate.
What is the SMILES notation for (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The canonical SMILES for (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate is C[C@@H](N)C(=O)C(C)(O)C(=O)[O-].
What is the InChIKey of (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The InChIKey is JRXAINQJOIWCEP-HODUVHNASA-M. The full InChI is InChI=1S/C6H11NO4/c1-3(7)4(8)6(2,11)5(9)10/h3,11H,7H2,1-2H3,(H,9,10)/p-1/t3-,6?/m1/s1.
What are the key properties of (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate has a molecular weight of 160.15 g/mol, XLogP of -2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate is sourced from PubChem (CID 20832911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).