(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid

C10H19NO3 — CID 2190442

IUPAC(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(6-9(13)14)5-8(12)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyZAZKMKAXIQYBHH-SSDOTTSWSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds4

About (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid

(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 2190442) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid
PubChem CID2190442
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(6-9(13)14)5-8(12)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyZAZKMKAXIQYBHH-SSDOTTSWSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid (CID 2190442) is (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid is C[C@@H](CC(=O)O)CC(=O)NC(C)(C)C.
What is the InChIKey of (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is ZAZKMKAXIQYBHH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(6-9(13)14)5-8(12)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid?
(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 2190442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).